A0A5K4F6R4_SCHMA Loading...

P4Ha_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6R4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	39	Very low	249 Å²	249	138.8 Å²	138.8	100%	1.227	66%	0.661	S	S	*	*				0	50.7	0	-67.5	178.5	176.2	0	0	112.2
2	K	34.7	Very low	38.8	Very low	196 Å²	196	134.2 Å²	134.2	85%	0.852	64%	0.643	S	S	*	*			trans	-136.1	6.5	-172.2	-88.7	-169.9	175.5	-176.1	0	117.5
3	M	34.9	Very low	38.7	Very low	159 Å²	159	125.2 Å²	125.2	78%	0.783	60%	0.602	S	S	*	*	S	Bend	trans	-104.3	2.4	-165.1	-78.4	176.1	65	0	0	117.6
4	W	36.1	Very low	38.8	Very low	233 Å²	233	132.1 Å²	132.1	88%	0.883	62%	0.619	S	S	*	*	S	Bend	trans	-110.2	7.4	-170.5	-76.9	82.1	0	0	0	115.8
5	I	38.1	Very low	38.9	Very low	99 Å²	99	138.5 Å²	138.5	51%	0.508	64%	0.635	S	S	.	*	S	Bend	trans	-100.7	-11.7	-176.7	-43.3	-176.8	0	0	0	112.1	L9	I5-L9 HydrophobicContact CB-CD1 4.21Å; I5-L9 HydrophobicContact CG2-CD1 3.35Å; I5-L9 HydrophobicContact CG2-CG 3.84Å; I5-L9 PolarHBondContact O-N 3.4Å
6	E	42.5	Very low	39	Very low	136 Å²	136	138.4 Å²	138.4	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-64.5	-43.7	-171.2	-71.7	-178.1	165.7	0	0	115.7	F8 L10	E6-F8 PolarHBondContact O-N 3.47Å; E6-L10 WeakPolarHBondContact O-CB 3.37Å; E6-L10 WeakPolarHBondContact O-CD1 2.8Å; E6-L10 VanDerWaalsContact O-CG 3.25Å; E6-L10 WeakPolarHBondContact O-CG 3.5Å; E6-L10 PolarHBondContact O-N 2.65Å; E6-L10 VanDerWaalsContact O-N 3.09Å
7	P	39.6	Very low	38.8	Very low	81 Å²	81	134 Å²	134	53%	0.526	63%	0.634	S	S	.	*	H	α-helix	trans	-68.3	-39	-174.2	-19.3	31.1	0	0	0	113.1	L11	P7-L11 PolarHBondContact O-N 3.42Å
8	F	44.2	Very low	38.5	Very low	113 Å²	113	132.9 Å²	132.9	50%	0.496	63%	0.627	S	S	.	*	H	α-helix	trans	-75.1	-38.2	-177	-86.2	-77.5	0	0	0	112.6	E6 L11 L12 V122	E6-F8 PolarHBondContact O-N 3.47Å; F8-L11 PolarHBondContact O-N 3.42Å; F8-L12 PolarHBondContact O-N 3.15Å; F8-V122 HydrophobicContact CD1-CB 4.5Å; F8-V122 HydrophobicContact CD1-CG2 3.6Å; F8-V122 HydrophobicContact CE1-CB 3.93Å; F8-V122 HydrophobicContact CE1-CG1 4.31Å; F8-V122 HydrophobicContact CE1-CG2 3.25Å; F8-V122 HydrophobicContact CZ-CG2 3.98Å
9	L	40.7	Very low	38.5	Very low	34 Å²	34	132.2 Å²	132.2	18%	0.178	64%	0.636	C	S	.	*	H	α-helix	trans	-65.6	-40.8	173.6	-79.2	168.4	0	0	0	110.9	I5 L11 L12 C13 I26	I5-L9 HydrophobicContact CB-CD1 4.21Å; I5-L9 HydrophobicContact CG2-CD1 3.35Å; I5-L9 HydrophobicContact CG2-CG 3.84Å; I5-L9 PolarHBondContact O-N 3.4Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.93Å; L9-L12 PolarHBondContact O-N 2.73Å; L9-C13 WeakPolarHBondContact O-CB 3.49Å; L9-C13 PolarHBondContact O-N 2.7Å; L9-C13 PolarHBondContact O-SG 3.46Å; L9-I26 HydrophobicContact CD1-CG2 3.73Å; L9-I26 HydrophobicContact CD2-CG2 4.28Å; L9-I26 HydrophobicContact CG-CG2 4.47Å
10	L	41.8	Very low	38.4	Very low	115 Å²	115	127.7 Å²	127.7	60%	0.602	62%	0.617	S	S	*	*	H	α-helix	trans	-62.3	-38	175	-73.8	169.4	0	0	0	112.4	E6 R14	E6-L10 WeakPolarHBondContact O-CB 3.37Å; E6-L10 WeakPolarHBondContact O-CD1 2.8Å; E6-L10 VanDerWaalsContact O-CG 3.25Å; E6-L10 WeakPolarHBondContact O-CG 3.5Å; E6-L10 PolarHBondContact O-N 2.65Å; E6-L10 VanDerWaalsContact O-N 3.09Å; L10-R14 VanDerWaalsContact O-CB 3.27Å; L10-R14 WeakPolarHBondContact O-CB 3.34Å; L10-R14 PolarHBondContact O-N 2.88Å
11	L	43.4	Very low	38.7	Very low	112 Å²	112	126.9 Å²	126.9	59%	0.586	63%	0.625	S	S	*	*	H	α-helix	trans	-64.4	-45.3	173.7	-84.7	162.3	0	0	0	111.8	P7 F8 L9 R14 W15	P7-L11 PolarHBondContact O-N 3.42Å; F8-L11 PolarHBondContact O-N 3.42Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.93Å; L11-R14 PolarHBondContact O-N 3.38Å; L11-W15 WeakPolarHBondContact O-CB 3.31Å; L11-W15 PolarHBondContact O-N 2.79Å
12	L	37.4	Very low	39	Very low	83 Å²	83	119.6 Å²	119.6	44%	0.435	59%	0.591	S	S	.	*	H	α-helix	trans	-61.9	-46.6	175.1	-79.3	165.6	0	0	0	111.7	F8 L9 R14 W15 F16	F8-L12 PolarHBondContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 2.73Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.79Å; L12-W15 PolarHBondContact O-N 3.37Å; L12-W15 VanDerWaalsContact O-N 3.16Å; L12-F16 HydrophobicContact CD2-CD2 4.07Å; L12-F16 HydrophobicContact CD2-CE2 3.7Å; L12-F16 WeakPolarHBondContact O-CB 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.07Å; L12-F16 PolarHBondContact O-N 3.46Å
13	C	37.8	Very low	39.1	Very low	17 Å²	17	115.9 Å²	115.9	12%	0.115	58%	0.584	C	S	.	*	H	α-helix	trans	-60.6	-40.5	177.6	-66.8	0	0	0	0	111.6	L9 G17 F18 V20	L9-C13 WeakPolarHBondContact O-CB 3.49Å; L9-C13 PolarHBondContact O-N 2.7Å; L9-C13 PolarHBondContact O-SG 3.46Å; C13-G17 PolarHBondContact O-N 2.84Å; C13-F18 HydrophobicContact CB-CB 4.42Å; C13-F18 PolarHBondContact O-N 3.28Å; C13-V20 HydrophobicContact CB-CG2 4.09Å; C13-V20 WeakPolarHBondContact SG-CG2 3.18Å
14	R	39.5	Very low	39.5	Very low	223 Å²	223	112.1 Å²	112.1	84%	0.842	57%	0.571	S	S	*	*	H	α-helix	trans	-68.6	-33.8	176.8	-165.9	172.7	-174.8	173.2	1.7	112.7	L10 L11 L12	L10-R14 VanDerWaalsContact O-CB 3.27Å; L10-R14 WeakPolarHBondContact O-CB 3.34Å; L10-R14 PolarHBondContact O-N 2.88Å; L11-R14 PolarHBondContact O-N 3.38Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.79Å
15	W	40.7	Very low	39.7	Very low	228 Å²	228	105 Å²	105	86%	0.864	55%	0.547	S	S	*	.	H	α-helix	trans	-79	-35.4	179.5	-128.8	48.5	0	0	0	113.1	L11 L12	L11-W15 WeakPolarHBondContact O-CB 3.31Å; L11-W15 PolarHBondContact O-N 2.79Å; L12-W15 PolarHBondContact O-N 3.37Å; L12-W15 VanDerWaalsContact O-N 3.16Å
16	F	40.2	Very low	39.5	Very low	137 Å²	137	102.2 Å²	102.2	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-91.5	2.7	177.9	-73.4	-76.1	0	0	0	113.9	L12 F18	L12-F16 HydrophobicContact CD2-CD2 4.07Å; L12-F16 HydrophobicContact CD2-CE2 3.7Å; L12-F16 WeakPolarHBondContact O-CB 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.07Å; L12-F16 PolarHBondContact O-N 3.46Å; F16-F18 VanDerWaalsContact C-N 3.34Å; F16-F18 HydrophobicContact CB-CD2 3.66Å; F16-F18 HydrophobicContact CB-CE2 3.86Å; F16-F18 PolarHBondContact O-N 3.01Å
17	G	34.8	Very low	39.6	Very low	63 Å²	63	99 Å²	99	65%	0.649	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	19.9	174.5	0	0	0	0	0	114.9	C13 C19	C13-G17 PolarHBondContact O-N 2.84Å; G17-C19 PolarHBondContact O-N 2.83Å
18	F	34	Very low	40	Very low	115 Å²	115	101.4 Å²	101.4	50%	0.504	53%	0.529	S	S	.	.			trans	-84.1	105.8	176.8	-73.3	-83.4	0	0	0	110.1	C13 F16 V20	C13-F18 HydrophobicContact CB-CB 4.42Å; C13-F18 PolarHBondContact O-N 3.28Å; F16-F18 VanDerWaalsContact C-N 3.34Å; F16-F18 HydrophobicContact CB-CD2 3.66Å; F16-F18 HydrophobicContact CB-CE2 3.86Å; F16-F18 PolarHBondContact O-N 3.01Å; F18-V20 VanDerWaalsContact C-N 3.3Å; F18-V20 HydrophobicContact CB-CG2 3.99Å; F18-V20 PolarHBondContact O-N 2.99Å
19	C	38.7	Very low	40	Very low	119 Å²	119	98 Å²	98	80%	0.804	52%	0.52	S	S	*	.			trans	-71.3	86.1	164	-82.9	0	0	0	0	108.6	G17 S21	G17-C19 PolarHBondContact O-N 2.83Å; C19-S21 PolarHBondContact O-N 3.02Å; C19-S21 VanDerWaalsContact O-N 3.08Å
20	V	36.6	Very low	40.2	Very low	42 Å²	42	101.5 Å²	101.5	26%	0.255	53%	0.532	S	S	.	.			trans	-80.3	99.6	-177.8	-170.1	0	0	0	0	110	C13 F18 D22 E25 I26	C13-V20 HydrophobicContact CB-CG2 4.09Å; C13-V20 WeakPolarHBondContact SG-CG2 3.18Å; F18-V20 VanDerWaalsContact C-N 3.3Å; F18-V20 HydrophobicContact CB-CG2 3.99Å; F18-V20 PolarHBondContact O-N 2.99Å; V20-D22 WeakPolarHBondContact CG1-O 3.29Å; V20-E25 HydrophobicContact CG1-CB 4.2Å; V20-I26 HydrophobicContact CB-CD1 3.87Å; V20-I26 HydrophobicContact CB-CG1 3.86Å; V20-I26 HydrophobicContact CG1-CB 4.26Å; V20-I26 HydrophobicContact CG1-CD1 3.47Å; V20-I26 VanDerWaalsContact CG1-CD1 3.47Å; V20-I26 HydrophobicContact CG1-CG1 3.36Å; V20-I26 HydrophobicContact CG2-CD1 4.16Å; V20-I26 HydrophobicContact CG2-CG1 3.69Å
21	S	43.8	Very low	40.9	Very low	111 Å²	111	100.3 Å²	100.3	78%	0.776	52%	0.523	S	S	*	.			trans	-86.1	-14.9	165.6	43.4	0	0	0	0	113.3	C19	C19-S21 PolarHBondContact O-N 3.02Å; C19-S21 VanDerWaalsContact O-N 3.08Å
22	D	40.6	Very low	41.4	Very low	95 Å²	95	97.4 Å²	97.4	51%	0.508	51%	0.512	S	S	.	.			trans	-126.3	121.9	-179.1	-97.8	-42.8	0	0	0	112.6	V20 T24 E25	V20-D22 WeakPolarHBondContact CG1-O 3.29Å; D22-T24 PolarHBondContact O-N 2.77Å; D22-E25 HydrophobicContact CB-CG 4.46Å; D22-E25 PolarHBondContact O-N 3.42Å
23	T	35	Very low	41.9	Very low	118 Å²	118	97.6 Å²	97.6	72%	0.724	52%	0.517	S	S	*	.	H	α-helix	trans	-51.7	-23.6	174.1	54.7	0	0	0	0	113.5	S27	T23-S27 PolarHBondContact O-N 2.76Å
24	T	44.3	Very low	42.7	Very low	80 Å²	80	100.9 Å²	100.9	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-42.8	173	-44.5	0	0	0	0	112.5	D22 S27 Q28	D22-T24 PolarHBondContact O-N 2.77Å; T24-S27 WeakPolarHBondContact O-CB 3.46Å; T24-S27 PolarHBondContact O-N 2.85Å; T24-Q28 WeakPolarHBondContact O-CG 3.21Å; T24-Q28 PolarHBondContact O-N 2.85Å
25	E	39.7	Very low	43.9	Very low	83 Å²	83	96 Å²	96	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-36.7	178.2	-70.2	-175.3	163.2	0	0	111.8	V20 D22 S27 Q28 S29	V20-E25 HydrophobicContact CG1-CB 4.2Å; D22-E25 HydrophobicContact CB-CG 4.46Å; D22-E25 PolarHBondContact O-N 3.42Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-Q28 PolarHBondContact O-N 3.18Å; E25-S29 WeakPolarHBondContact O-CB 3.28Å; E25-S29 PolarHBondContact O-N 2.64Å; E25-S29 PolarHBondContact O-OG 3.19Å
26	I	35.5	Very low	44.4	Very low	41 Å²	41	91 Å²	91	21%	0.21	50%	0.502	C	S	.	.	H	α-helix	trans	-60.8	-45.9	170.4	-80.5	162.7	0	0	0	110.3	L9 V20 S29 Y30	L9-I26 HydrophobicContact CD1-CG2 3.73Å; L9-I26 HydrophobicContact CD2-CG2 4.28Å; L9-I26 HydrophobicContact CG-CG2 4.47Å; V20-I26 HydrophobicContact CB-CD1 3.87Å; V20-I26 HydrophobicContact CB-CG1 3.86Å; V20-I26 HydrophobicContact CG1-CB 4.26Å; V20-I26 HydrophobicContact CG1-CD1 3.47Å; V20-I26 VanDerWaalsContact CG1-CD1 3.47Å; V20-I26 HydrophobicContact CG1-CG1 3.36Å; V20-I26 HydrophobicContact CG2-CD1 4.16Å; V20-I26 HydrophobicContact CG2-CG1 3.69Å; I26-S29 PolarHBondContact O-N 3.15Å; I26-Y30 WeakPolarHBondContact O-CB 3.31Å; I26-Y30 PolarHBondContact O-N 3.01Å
27	S	44.2	Very low	45.1	Very low	68 Å²	68	86.3 Å²	86.3	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-41.9	-178.9	-170.2	0	0	0	0	112	T23 T24 E25 Y30 E31	T23-S27 PolarHBondContact O-N 2.76Å; T24-S27 WeakPolarHBondContact O-CB 3.46Å; T24-S27 PolarHBondContact O-N 2.85Å; E25-S27 VanDerWaalsContact C-N 3.34Å; S27-Y30 PolarHBondContact O-N 3.27Å; S27-E31 PolarHBondContact O-N 3.21Å
28	Q	48.3	Very low	46.3	Very low	132 Å²	132	86.9 Å²	86.9	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-66	-43.1	176.4	-73.8	177.7	-12.1	0	0	111.3	T24 E25 Y30 E31 S32	T24-Q28 WeakPolarHBondContact O-CG 3.21Å; T24-Q28 PolarHBondContact O-N 2.85Å; E25-Q28 PolarHBondContact O-N 3.18Å; Q28-Y30 VanDerWaalsContact C-N 3.33Å; Q28-Y30 PolarHBondContact O-N 2.89Å; Q28-E31 PolarHBondContact O-N 2.68Å; Q28-S32 WeakPolarHBondContact O-CB 3.18Å; Q28-S32 PolarHBondContact O-N 2.9Å
29	S	44.3	Very low	47.7	Very low	42 Å²	42	85.7 Å²	85.7	29%	0.294	47%	0.47	S	S	.	.	H	α-helix	trans	-62	-41.3	176	-63.7	0	0	0	0	111.4	E25 I26 S32 V33	E25-S29 WeakPolarHBondContact O-CB 3.28Å; E25-S29 PolarHBondContact O-N 2.64Å; E25-S29 PolarHBondContact O-OG 3.19Å; I26-S29 PolarHBondContact O-N 3.15Å; S29-S32 PolarHBondContact O-N 3.41Å; S29-V33 VanDerWaalsContact O-CG2 3.26Å; S29-V33 WeakPolarHBondContact O-CG2 3.19Å; S29-V33 PolarHBondContact O-N 3.25Å
30	Y	44.4	Very low	48.4	Very low	108 Å²	108	82.2 Å²	82.2	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-47.8	175.8	176.6	-98.7	0	0	0	112.4	I26 S27 Q28 V33 K34	I26-Y30 WeakPolarHBondContact O-CB 3.31Å; I26-Y30 PolarHBondContact O-N 3.01Å; S27-Y30 PolarHBondContact O-N 3.27Å; Q28-Y30 VanDerWaalsContact C-N 3.33Å; Q28-Y30 PolarHBondContact O-N 2.89Å; Y30-V33 PolarHBondContact O-N 2.77Å; Y30-K34 HydrophobicContact CE1-CD 3.93Å; Y30-K34 VanDerWaalsContact O-CB 3.31Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.43Å
31	E	56.9	Low	49.4	Very low	89 Å²	89	83.3 Å²	83.3	42%	0.416	44%	0.44	S	S	.	.	H	α-helix	trans	-66.1	-37.4	178.7	-72	-58.5	144.4	0	0	111.9	S27 Q28 K34 E35	S27-E31 PolarHBondContact O-N 3.21Å; Q28-E31 PolarHBondContact O-N 2.68Å; E31-K34 PolarHBondContact O-N 3.21Å; E31-K34 IonicContact OE1-NZ 2.68Å; E31-K34 PolarHBondContact OE1-NZ 3.22Å; E31-K34 VanDerWaalsContact OE1-NZ 3.12Å; E31-K34 IonicContact OE2-NZ 2.74Å; E31-K34 PolarHBondContact OE2-NZ 3.37Å; E31-E35 WeakPolarHBondContact O-CB 3.21Å; E31-E35 PolarHBondContact O-N 2.82Å
32	S	53.8	Low	50.3	Low	52 Å²	52	84.4 Å²	84.4	36%	0.364	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-45.1	173.9	-179.6	0	0	0	0	112.3	Q28 S29 K34 E35 Q36	Q28-S32 WeakPolarHBondContact O-CB 3.18Å; Q28-S32 PolarHBondContact O-N 2.9Å; S29-S32 PolarHBondContact O-N 3.41Å; S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.78Å; S32-E35 PolarHBondContact O-N 3.47Å; S32-Q36 WeakPolarHBondContact O-CB 3.4Å; S32-Q36 VanDerWaalsContact O-CG 3.32Å; S32-Q36 WeakPolarHBondContact O-CG 3.45Å; S32-Q36 PolarHBondContact O-N 2.8Å
33	V	47.6	Very low	51	Low	87 Å²	87	81.8 Å²	81.8	53%	0.527	42%	0.424	S	S	.	.	H	α-helix	trans	-62.4	-39.7	175.7	170.2	0	0	0	0	111.1	S29 Y30 Q36 L37	S29-V33 VanDerWaalsContact O-CG2 3.26Å; S29-V33 WeakPolarHBondContact O-CG2 3.19Å; S29-V33 PolarHBondContact O-N 3.25Å; Y30-V33 PolarHBondContact O-N 2.77Å; V33-Q36 PolarHBondContact O-N 3.32Å; V33-L37 WeakPolarHBondContact O-CB 3.19Å; V33-L37 PolarHBondContact O-N 3.36Å
34	K	53.5	Low	51.9	Low	85 Å²	85	78.8 Å²	78.8	37%	0.37	40%	0.4	S	S	.	.	H	α-helix	trans	-66.9	-41	178.2	179.6	174.1	153.9	-138.6	0	112.4	Y30 E31 S32 L37 N38	Y30-K34 HydrophobicContact CE1-CD 3.93Å; Y30-K34 VanDerWaalsContact O-CB 3.31Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.43Å; E31-K34 PolarHBondContact O-N 3.21Å; E31-K34 IonicContact OE1-NZ 2.68Å; E31-K34 PolarHBondContact OE1-NZ 3.22Å; E31-K34 VanDerWaalsContact OE1-NZ 3.12Å; E31-K34 IonicContact OE2-NZ 2.74Å; E31-K34 PolarHBondContact OE2-NZ 3.37Å; S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.78Å; K34-L37 PolarHBondContact O-N 3.44Å; K34-N38 PolarHBondContact O-N 3.14Å
35	E	65.2	Low	52.3	Low	121 Å²	121	75.2 Å²	75.2	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-63.9	-46.3	173.4	-174.2	-178.2	-179.1	0	0	111.4	E31 S32 L37 N38 N39	E31-E35 WeakPolarHBondContact O-CB 3.21Å; E31-E35 PolarHBondContact O-N 2.82Å; S32-E35 PolarHBondContact O-N 3.47Å; E35-L37 VanDerWaalsContact C-N 3.3Å; E35-L37 PolarHBondContact O-N 3.22Å; E35-N38 WeakPolarHBondContact O-CB 3.26Å; E35-N38 PolarHBondContact O-N 3.07Å; E35-N38 VanDerWaalsContact O-N 3.11Å; E35-N39 PolarHBondContact O-N 3Å
36	Q	52.1	Low	53.6	Low	122 Å²	122	74.8 Å²	74.8	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-59.7	-40.5	175.7	-73.1	178.5	10.7	0	0	112.1	S32 V33 N38 N39 Y40	S32-Q36 WeakPolarHBondContact O-CB 3.4Å; S32-Q36 VanDerWaalsContact O-CG 3.32Å; S32-Q36 WeakPolarHBondContact O-CG 3.45Å; S32-Q36 PolarHBondContact O-N 2.8Å; V33-Q36 PolarHBondContact O-N 3.32Å; Q36-N38 VanDerWaalsContact C-N 3.34Å; Q36-N38 PolarHBondContact O-N 2.92Å; Q36-N39 PolarHBondContact O-N 3.45Å; Q36-Y40 VanDerWaalsContact O-CB 3.3Å; Q36-Y40 WeakPolarHBondContact O-CB 3.27Å; Q36-Y40 PolarHBondContact O-N 3.25Å
37	L	53.3	Low	54.7	Low	40 Å²	40	75.8 Å²	75.8	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-39.1	175.6	-172.8	67.9	0	0	0	111.7	V33 K34 E35 R41 V117 L125	V33-L37 WeakPolarHBondContact O-CB 3.19Å; V33-L37 PolarHBondContact O-N 3.36Å; K34-L37 PolarHBondContact O-N 3.44Å; E35-L37 VanDerWaalsContact C-N 3.3Å; E35-L37 PolarHBondContact O-N 3.22Å; L37-R41 VanDerWaalsContact O-CB 3.28Å; L37-R41 WeakPolarHBondContact O-CB 3.45Å; L37-R41 PolarHBondContact O-N 2.91Å; L37-V117 HydrophobicContact CD2-CG1 3.95Å; L37-V117 HydrophobicContact CD2-CG2 4.22Å; L37-L125 HydrophobicContact CD1-CD2 3.65Å; L37-L125 HydrophobicContact CD2-CD2 4.31Å
38	N	61.1	Low	55.4	Low	75 Å²	75	76.3 Å²	76.3	40%	0.401	38%	0.38	S	S	.	.	H	α-helix	trans	-67.9	-47.5	175.4	-79.3	-16.6	0	0	0	112.5	K34 E35 Q36 Y40 R41 E42	K34-N38 PolarHBondContact O-N 3.14Å; E35-N38 WeakPolarHBondContact O-CB 3.26Å; E35-N38 PolarHBondContact O-N 3.07Å; E35-N38 VanDerWaalsContact O-N 3.11Å; Q36-N38 VanDerWaalsContact C-N 3.34Å; Q36-N38 PolarHBondContact O-N 2.92Å; N38-Y40 PolarHBondContact O-N 2.95Å; N38-R41 WeakPolarHBondContact O-CA 3.35Å; N38-R41 VanDerWaalsContact O-CB 3.29Å; N38-R41 WeakPolarHBondContact O-CB 3.2Å; N38-R41 PolarHBondContact O-N 3.48Å; N38-E42 PolarHBondContact O-N 3.33Å
39	N	63.2	Low	56.1	Low	90 Å²	90	72.7 Å²	72.7	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-58.9	-40.7	176.4	-68.8	-16	0	0	0	110.8	E35 Q36 E42 A43	E35-N39 PolarHBondContact O-N 3Å; Q36-N39 PolarHBondContact O-N 3.45Å; N39-E42 PolarHBondContact O-N 3.39Å; N39-A43 WeakPolarHBondContact O-CB 3.26Å; N39-A43 PolarHBondContact O-N 2.81Å
40	Y	53.1	Low	56.9	Low	45 Å²	45	74 Å²	74	18%	0.176	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-40	173.8	177.2	-93.2	0	0	0	112.3	Q36 N38 E42 A43 Y44 L128 I132	Q36-Y40 VanDerWaalsContact O-CB 3.3Å; Q36-Y40 WeakPolarHBondContact O-CB 3.27Å; Q36-Y40 PolarHBondContact O-N 3.25Å; N38-Y40 PolarHBondContact O-N 2.95Å; Y40-E42 VanDerWaalsContact C-N 3.28Å; Y40-E42 PolarHBondContact O-N 2.92Å; Y40-A43 PolarHBondContact O-N 3.46Å; Y40-Y44 HydrophobicContact CE1-CD2 4.48Å; Y40-Y44 HydrophobicContact CE1-CG 4.34Å; Y40-Y44 WeakPolarHBondContact O-CB 3.32Å; Y40-Y44 PolarHBondContact O-N 3.38Å; Y40-Y44 WeakPolarHBondContact OH-CD2 3.49Å; Y40-L128 HydrophobicContact CE1-CD2 4.14Å; Y40-L128 HydrophobicContact CE1-CG 4.48Å; Y40-I132 HydrophobicContact CD1-CD1 3.69Å; Y40-I132 HydrophobicContact CD2-CD1 3.72Å; Y40-I132 HydrophobicContact CD2-CG1 4.19Å; Y40-I132 HydrophobicContact CD2-CG2 3.86Å; Y40-I132 HydrophobicContact CE1-CD1 3.2Å; Y40-I132 HydrophobicContact CE1-CG1 3.98Å; Y40-I132 HydrophobicContact CE2-CB 4.03Å; Y40-I132 HydrophobicContact CE2-CD1 3.22Å; Y40-I132 HydrophobicContact CE2-CG1 3.31Å; Y40-I132 HydrophobicContact CE2-CG2 3.46Å; Y40-I132 VanDerWaalsContact CE2-CG2 3.46Å; Y40-I132 HydrophobicContact CG-CD1 3.95Å; Y40-I132 VanDerWaalsContact OH-CD1 3.27Å; Y40-I132 WeakPolarHBondContact OH-CD1 3.41Å; Y40-I132 WeakPolarHBondContact OH-CG1 3.29Å
41	R	57.6	Low	57.8	Low	66 Å²	66	72.7 Å²	72.7	25%	0.249	36%	0.36	C	S	.	.	H	α-helix	trans	-55.4	-48.1	176.1	177.3	-160.3	163.7	165.2	-2.2	110.6	L37 N38 V45 L113 E114	L37-R41 VanDerWaalsContact O-CB 3.28Å; L37-R41 WeakPolarHBondContact O-CB 3.45Å; L37-R41 PolarHBondContact O-N 2.91Å; N38-R41 WeakPolarHBondContact O-CA 3.35Å; N38-R41 VanDerWaalsContact O-CB 3.29Å; N38-R41 WeakPolarHBondContact O-CB 3.2Å; N38-R41 PolarHBondContact O-N 3.48Å; R41-V45 WeakPolarHBondContact O-CB 3.24Å; R41-V45 VanDerWaalsContact O-CG2 3.26Å; R41-V45 WeakPolarHBondContact O-CG2 3.46Å; R41-V45 PolarHBondContact O-N 2.84Å; R41-L113 HydrophobicContact CB-CD2 3.83Å; R41-L113 HydrophobicContact CB-CG 4.49Å; R41-L113 HydrophobicContact CG-CD2 3.41Å; R41-L113 VanDerWaalsContact CG-CD2 3.41Å; R41-L113 HydrophobicContact CG-CG 3.89Å; R41-E114 IonicContact CZ-OE1 2.83Å; R41-E114 VanDerWaalsContact CZ-OE1 3.23Å; R41-E114 IonicContact NH1-OE1 3.12Å; R41-E114 PolarHBondContact NH1-OE1 2.93Å; R41-E114 VanDerWaalsContact NH2-CD 3.31Å; R41-E114 IonicContact NH2-OE1 2.99Å; R41-E114 PolarHBondContact NH2-OE1 3.36Å
42	E	62.1	Low	57.9	Low	133 Å²	133	70.9 Å²	70.9	62%	0.621	35%	0.35	S	S	*	.	H	α-helix	trans	-62	-48.1	175.9	-68.2	-178.4	176.1	0	0	111.5	N38 N39 Y40 Y44 V45 D46	N38-E42 PolarHBondContact O-N 3.33Å; N39-E42 PolarHBondContact O-N 3.39Å; Y40-E42 VanDerWaalsContact C-N 3.28Å; Y40-E42 PolarHBondContact O-N 2.92Å; E42-Y44 PolarHBondContact O-N 3.35Å; E42-V45 PolarHBondContact O-N 2.79Å; E42-D46 VanDerWaalsContact O-CB 3.32Å; E42-D46 WeakPolarHBondContact O-CB 3.26Å; E42-D46 PolarHBondContact O-N 3.26Å
43	A	56.8	Low	58.2	Low	40 Å²	40	69.1 Å²	69.1	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-37.7	179.7	0	0	0	0	0	113.6	N39 Y40 T47	N39-A43 WeakPolarHBondContact O-CB 3.26Å; N39-A43 PolarHBondContact O-N 2.81Å; Y40-A43 PolarHBondContact O-N 3.46Å; A43-T47 VanDerWaalsContact O-CB 3.3Å; A43-T47 WeakPolarHBondContact O-CB 3.27Å; A43-T47 PolarHBondContact O-N 3.12Å; A43-T47 PolarHBondContact O-OG1 2.93Å
44	Y	53.5	Low	58.7	Low	56 Å²	56	69.9 Å²	69.9	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-48	176.7	176.9	-94.1	0	0	0	111.8	Y40 E42 D46 T47 K48 L113	Y40-Y44 HydrophobicContact CE1-CD2 4.48Å; Y40-Y44 HydrophobicContact CE1-CG 4.34Å; Y40-Y44 WeakPolarHBondContact O-CB 3.32Å; Y40-Y44 PolarHBondContact O-N 3.38Å; Y40-Y44 WeakPolarHBondContact OH-CD2 3.49Å; E42-Y44 PolarHBondContact O-N 3.35Å; Y44-D46 VanDerWaalsContact C-N 3.28Å; Y44-D46 PolarHBondContact O-N 3.29Å; Y44-T47 PolarHBondContact O-N 2.91Å; Y44-K48 HydrophobicContact CD1-CG 4.22Å; Y44-K48 HydrophobicContact CD2-CG 4.41Å; Y44-K48 HydrophobicContact CE1-CG 3.79Å; Y44-K48 HydrophobicContact CE2-CG 4.04Å; Y44-K48 WeakPolarHBondContact O-CB 3.39Å; Y44-K48 WeakPolarHBondContact O-CG 3.38Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-K48 WeakPolarHBondContact OH-CE 3.31Å; Y44-L113 HydrophobicContact CD1-CD2 3.81Å; Y44-L113 HydrophobicContact CG-CD2 4.35Å
45	V	53	Low	59	Low	5 Å²	5	69.7 Å²	69.7	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-47.3	176.9	168.4	0	0	0	0	109	R41 E42 K48 Y49 K106 L109 E110 L113	R41-V45 WeakPolarHBondContact O-CB 3.24Å; R41-V45 VanDerWaalsContact O-CG2 3.26Å; R41-V45 WeakPolarHBondContact O-CG2 3.46Å; R41-V45 PolarHBondContact O-N 2.84Å; E42-V45 PolarHBondContact O-N 2.79Å; V45-K48 PolarHBondContact O-N 3.48Å; V45-Y49 WeakPolarHBondContact O-CB 3.11Å; V45-Y49 PolarHBondContact O-N 3.48Å; V45-K106 HydrophobicContact CG1-CG 3.93Å; V45-L109 HydrophobicContact CG2-CB 4.47Å; V45-E110 HydrophobicContact CB-CG 4.42Å; V45-E110 HydrophobicContact CG1-CG 3.72Å; V45-E110 HydrophobicContact CG2-CG 3.87Å; V45-L113 HydrophobicContact CG2-CD2 4.1Å
46	D	66.2	Low	58.6	Low	73 Å²	73	65.9 Å²	65.9	39%	0.39	32%	0.316	S	S	.	.	H	α-helix	trans	-59.4	-55.1	176.8	-169.4	56.6	0	0	0	110.6	E42 Y44 K48 Y49 Q50	E42-D46 VanDerWaalsContact O-CB 3.32Å; E42-D46 WeakPolarHBondContact O-CB 3.26Å; E42-D46 PolarHBondContact O-N 3.26Å; Y44-D46 VanDerWaalsContact C-N 3.28Å; Y44-D46 PolarHBondContact O-N 3.29Å; D46-K48 VanDerWaalsContact C-N 3.29Å; D46-K48 PolarHBondContact O-N 2.75Å; D46-Y49 CarbonylContact O-C 2.97Å; D46-Y49 WeakPolarHBondContact O-CA 2.97Å; D46-Y49 VanDerWaalsContact O-CB 3.28Å; D46-Y49 WeakPolarHBondContact O-CB 3.12Å; D46-Y49 PolarHBondContact O-N 3.49Å; D46-Q50 WeakPolarHBondContact O-CB 3.35Å; D46-Q50 WeakPolarHBondContact O-CG 3.43Å; D46-Q50 PolarHBondContact O-N 2.79Å; D46-Q50 PolarHBondContact OD2-NE2 3.04Å
47	T	57.9	Low	58.7	Low	62 Å²	62	60.2 Å²	60.2	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-56.3	-40	179.8	-57	0	0	0	0	112.9	A43 Y44 Q50 H51	A43-T47 VanDerWaalsContact O-CB 3.3Å; A43-T47 WeakPolarHBondContact O-CB 3.27Å; A43-T47 PolarHBondContact O-N 3.12Å; A43-T47 PolarHBondContact O-OG1 2.93Å; Y44-T47 PolarHBondContact O-N 2.91Å; T47-Q50 WeakPolarHBondContact O-CB 3.39Å; T47-Q50 PolarHBondContact O-N 3.03Å; T47-H51 PolarHBondContact O-CD2 2.95Å; T47-H51 PolarHBondContact O-N 3.19Å
48	K	60	Low	58.7	Low	80 Å²	80	63 Å²	63	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-70.1	-39.5	176.5	-77.7	-65.4	-168.9	177.4	0	112.1	Y44 V45 D46 Q50 H51 Y52 L109	Y44-K48 HydrophobicContact CD1-CG 4.22Å; Y44-K48 HydrophobicContact CD2-CG 4.41Å; Y44-K48 HydrophobicContact CE1-CG 3.79Å; Y44-K48 HydrophobicContact CE2-CG 4.04Å; Y44-K48 WeakPolarHBondContact O-CB 3.39Å; Y44-K48 WeakPolarHBondContact O-CG 3.38Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-K48 WeakPolarHBondContact OH-CE 3.31Å; V45-K48 PolarHBondContact O-N 3.48Å; D46-K48 VanDerWaalsContact C-N 3.29Å; D46-K48 PolarHBondContact O-N 2.75Å; K48-Q50 VanDerWaalsContact C-N 3.32Å; K48-H51 PolarHBondContact O-N 3.28Å; K48-Y52 WeakPolarHBondContact O-CB 3.29Å; K48-Y52 PolarHBondContact O-N 3.09Å; K48-L109 HydrophobicContact CB-CD1 3.53Å; K48-L109 HydrophobicContact CB-CD2 3.89Å; K48-L109 HydrophobicContact CB-CG 4.34Å; K48-L109 HydrophobicContact CG-CD2 4.21Å
49	Y	62	Low	58.2	Low	56 Å²	56	63.7 Å²	63.7	22%	0.22	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-41.4	172.6	179.2	-99.8	0	0	0	111.4	V45 D46 Y52 L53 V102 K106	V45-Y49 WeakPolarHBondContact O-CB 3.11Å; V45-Y49 PolarHBondContact O-N 3.48Å; D46-Y49 CarbonylContact O-C 2.97Å; D46-Y49 WeakPolarHBondContact O-CA 2.97Å; D46-Y49 VanDerWaalsContact O-CB 3.28Å; D46-Y49 WeakPolarHBondContact O-CB 3.12Å; D46-Y49 PolarHBondContact O-N 3.49Å; Y49-Y52 PolarHBondContact O-N 3.31Å; Y49-L53 HydrophobicContact CD1-CD1 3.86Å; Y49-L53 HydrophobicContact CE1-CD1 3.42Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.42Å; Y49-L53 HydrophobicContact CE1-CG 4.29Å; Y49-L53 PolarHBondContact O-N 3.47Å; Y49-V102 HydrophobicContact CD2-CG1 4.26Å; Y49-V102 HydrophobicContact CE1-CG1 4.47Å; Y49-V102 HydrophobicContact CE2-CB 4.42Å; Y49-V102 HydrophobicContact CE2-CG1 3.18Å; Y49-V102 WeakPolarHBondContact CE2-O 3.3Å; Y49-V102 WeakPolarHBondContact OH-CG1 3.41Å; Y49-K106 HydrophobicContact CD2-CB 3.71Å; Y49-K106 HydrophobicContact CD2-CG 4.11Å; Y49-K106 HydrophobicContact CE2-CB 3.89Å; Y49-K106 HydrophobicContact CE2-CD 4.45Å; Y49-K106 HydrophobicContact CE2-CG 4.42Å
50	Q	61.3	Low	57.5	Low	69 Å²	69	62.8 Å²	62.8	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-57.1	-50.7	172.5	-62.3	-140.7	-10.8	0	0	112.6	D46 T47 K48 Y52 L53 R54 F81	D46-Q50 WeakPolarHBondContact O-CB 3.35Å; D46-Q50 WeakPolarHBondContact O-CG 3.43Å; D46-Q50 PolarHBondContact O-N 2.79Å; D46-Q50 PolarHBondContact OD2-NE2 3.04Å; T47-Q50 WeakPolarHBondContact O-CB 3.39Å; T47-Q50 PolarHBondContact O-N 3.03Å; K48-Q50 VanDerWaalsContact C-N 3.32Å; Q50-Y52 PolarHBondContact O-N 3.35Å; Q50-L53 PolarHBondContact O-N 3.46Å; Q50-R54 WeakPolarHBondContact O-CB 3.28Å; Q50-R54 PolarHBondContact O-N 2.85Å; Q50-F81 HydrophobicContact CB-CE2 3.33Å; Q50-F81 HydrophobicContact CB-CZ 3.61Å; Q50-F81 VanDerWaalsContact CD-CZ 3.5Å; Q50-F81 HydrophobicContact CG-CD2 4.32Å; Q50-F81 HydrophobicContact CG-CE1 4.39Å; Q50-F81 HydrophobicContact CG-CE2 3.24Å; Q50-F81 HydrophobicContact CG-CZ 3.26Å
51	H	63	Low	57.1	Low	81 Å²	81	61.2 Å²	61.2	38%	0.375	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-40	176	-75.4	-58.5	0	0	0	112.6	T47 K48 R54 D55	T47-H51 PolarHBondContact O-CD2 2.95Å; T47-H51 PolarHBondContact O-N 3.19Å; K48-H51 PolarHBondContact O-N 3.28Å; H51-R54 WeakPolarHBondContact O-CB 3.41Å; H51-R54 PolarHBondContact O-N 3.23Å; H51-D55 WeakPolarHBondContact O-CB 3.39Å; H51-D55 PolarHBondContact O-N 2.87Å
52	Y	60.5	Low	56.4	Low	51 Å²	51	65.3 Å²	65.3	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-48.4	177	174.9	-101.2	0	0	0	111.7	K48 Y49 Q50 R54 D55 L56 V102 R105	K48-Y52 WeakPolarHBondContact O-CB 3.29Å; K48-Y52 PolarHBondContact O-N 3.09Å; Y49-Y52 PolarHBondContact O-N 3.31Å; Q50-Y52 PolarHBondContact O-N 3.35Å; Y52-R54 VanDerWaalsContact C-N 3.26Å; Y52-R54 PolarHBondContact O-N 2.9Å; Y52-D55 PolarHBondContact O-N 3.27Å; Y52-L56 HydrophobicContact CE1-CD1 4.43Å; Y52-L56 HydrophobicContact CE1-CD2 4.42Å; Y52-L56 HydrophobicContact CE2-CD1 3.8Å; Y52-L56 WeakPolarHBondContact O-CB 3.19Å; Y52-L56 PolarHBondContact O-N 2.98Å; Y52-L56 WeakPolarHBondContact OH-CD1 3.43Å; Y52-V102 HydrophobicContact CD1-CG2 4.32Å; Y52-V102 HydrophobicContact CE1-CB 4.36Å; Y52-V102 HydrophobicContact CE1-CG2 3.77Å; Y52-R105 HydrophobicContact CD1-CB 4.25Å; Y52-R105 HydrophobicContact CD1-CG 4.13Å; Y52-R105 HydrophobicContact CD2-CG 3.97Å; Y52-R105 HydrophobicContact CE1-CB 4.09Å; Y52-R105 HydrophobicContact CE1-CG 4.29Å; Y52-R105 HydrophobicContact CE2-CG 4.12Å; Y52-R105 HydrophobicContact CG-CG 3.96Å
53	L	58.9	Low	55.7	Low	14 Å²	14	64.3 Å²	64.3	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-56.2	-44.2	174.4	-80.5	174.1	0	0	0	111.2	Y49 Q50 L56 L57 F81 F98 V102	Y49-L53 HydrophobicContact CD1-CD1 3.86Å; Y49-L53 HydrophobicContact CE1-CD1 3.42Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.42Å; Y49-L53 HydrophobicContact CE1-CG 4.29Å; Y49-L53 PolarHBondContact O-N 3.47Å; Q50-L53 PolarHBondContact O-N 3.46Å; L53-L56 PolarHBondContact O-N 2.89Å; L53-L57 VanDerWaalsContact O-CB 3.26Å; L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 2.99Å; L53-F81 HydrophobicContact CD1-CE1 3.96Å; L53-F81 HydrophobicContact CD1-CZ 3.96Å; L53-F98 HydrophobicContact CD2-CE1 4.16Å; L53-F98 HydrophobicContact CD2-CZ 3.85Å; L53-V102 HydrophobicContact CD2-CB 4.38Å; L53-V102 HydrophobicContact CD2-CG1 3.78Å; L53-V102 HydrophobicContact CD2-CG2 3.57Å; L53-V102 HydrophobicContact CG-CG1 4.34Å
54	R	58.6	Low	55	Low	103 Å²	103	66.6 Å²	66.6	39%	0.389	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-49.9	176.8	-171.2	-166.7	71.8	-177.8	1.2	112.5	Q50 H51 Y52 Y58 Y80	Q50-R54 WeakPolarHBondContact O-CB 3.28Å; Q50-R54 PolarHBondContact O-N 2.85Å; H51-R54 WeakPolarHBondContact O-CB 3.41Å; H51-R54 PolarHBondContact O-N 3.23Å; Y52-R54 VanDerWaalsContact C-N 3.26Å; Y52-R54 PolarHBondContact O-N 2.9Å; R54-Y58 WeakPolarHBondContact O-CB 3.02Å; R54-Y58 PolarHBondContact O-N 3.01Å; R54-Y80 VanDerWaalsContact CA-OH 3.31Å; R54-Y80 WeakPolarHBondContact CA-OH 3.46Å; R54-Y80 HydrophobicContact CB-CD1 3.95Å; R54-Y80 HydrophobicContact CB-CE1 3.47Å; R54-Y80 VanDerWaalsContact CB-CE1 3.47Å; R54-Y80 HydrophobicContact CB-CE2 4.5Å; R54-Y80 HydrophobicContact CG-CD1 3.82Å; R54-Y80 HydrophobicContact CG-CD2 3.98Å; R54-Y80 HydrophobicContact CG-CE1 3.43Å; R54-Y80 VanDerWaalsContact CG-CE1 3.43Å; R54-Y80 HydrophobicContact CG-CE2 3.54Å; R54-Y80 HydrophobicContact CG-CG 4.11Å; R54-Y80 PolarHBondContact O-OH 3.4Å
55	D	60.1	Low	54.5	Low	82 Å²	82	75.4 Å²	75.4	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-38.7	-176.5	-63.8	-11.2	0	0	0	110.6	H51 Y52 Y58 V59	H51-D55 WeakPolarHBondContact O-CB 3.39Å; H51-D55 PolarHBondContact O-N 2.87Å; Y52-D55 PolarHBondContact O-N 3.27Å; D55-Y58 PolarHBondContact O-N 3.19Å; D55-V59 WeakPolarHBondContact O-CB 3.41Å; D55-V59 VanDerWaalsContact O-CG2 3.24Å; D55-V59 WeakPolarHBondContact O-CG2 3.15Å; D55-V59 PolarHBondContact O-N 2.74Å
56	L	57.6	Low	54.1	Low	41 Å²	41	80 Å²	80	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-44.3	179	-144.1	87.6	0	0	0	112.5	Y52 L53 V59 R60 F98	Y52-L56 HydrophobicContact CE1-CD1 4.43Å; Y52-L56 HydrophobicContact CE1-CD2 4.42Å; Y52-L56 HydrophobicContact CE2-CD1 3.8Å; Y52-L56 WeakPolarHBondContact O-CB 3.19Å; Y52-L56 PolarHBondContact O-N 2.98Å; Y52-L56 WeakPolarHBondContact OH-CD1 3.43Å; L53-L56 PolarHBondContact O-N 2.89Å; L56-V59 PolarHBondContact O-N 2.82Å; L56-R60 PolarHBondContact O-N 3.37Å; L56-F98 HydrophobicContact CB-CE2 4.21Å; L56-F98 HydrophobicContact CD2-CD2 3.36Å; L56-F98 HydrophobicContact CD2-CE2 3.19Å; L56-F98 HydrophobicContact CD2-CZ 4.31Å; L56-F98 HydrophobicContact CG-CE2 4.16Å
57	L	53.4	Low	53.2	Low	3 Å²	3	79 Å²	79	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-43.6	175.2	-74.7	168.1	0	0	0	110.9	L53 V59 R60 I61 Y80 A84 I88 F98	L53-L57 VanDerWaalsContact O-CB 3.26Å; L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 2.99Å; L57-V59 VanDerWaalsContact C-N 3.3Å; L57-V59 PolarHBondContact O-N 3Å; L57-R60 PolarHBondContact O-N 3.27Å; L57-I61 HydrophobicContact CB-CD1 4.5Å; L57-I61 VanDerWaalsContact O-CB 3.28Å; L57-I61 WeakPolarHBondContact O-CB 3.46Å; L57-I61 WeakPolarHBondContact O-CD1 3.38Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.26Å; L57-Y80 HydrophobicContact CD1-CE1 4.49Å; L57-A84 HydrophobicContact CD1-CB 3.26Å; L57-I88 HydrophobicContact CD1-CD1 4.12Å; L57-I88 HydrophobicContact CD1-CG1 4.46Å; L57-I88 HydrophobicContact CD2-CD1 4.28Å; L57-I88 HydrophobicContact CD2-CG1 3.87Å; L57-F98 HydrophobicContact CD2-CE2 4.43Å; L57-F98 HydrophobicContact CD2-CZ 4.09Å; L57-F98 HydrophobicContact CG-CZ 4.21Å
58	Y	52.6	Low	52.6	Low	97 Å²	97	78.1 Å²	78.1	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-59.1	-41.9	175.6	-173.2	-95.4	0	0	0	111.8	R54 D55 K62 I68	R54-Y58 WeakPolarHBondContact O-CB 3.02Å; R54-Y58 PolarHBondContact O-N 3.01Å; D55-Y58 PolarHBondContact O-N 3.19Å; Y58-K62 HydrophobicContact CE1-CD 4.45Å; Y58-K62 VanDerWaalsContact O-CB 3.26Å; Y58-K62 WeakPolarHBondContact O-CB 3.33Å; Y58-K62 PolarHBondContact O-N 3.45Å; Y58-I68 HydrophobicContact CD2-CD1 3.9Å; Y58-I68 HydrophobicContact CE2-CD1 4.45Å
59	V	50.9	Low	52	Low	90 Å²	90	78.3 Å²	78.3	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-51.2	175.5	169.3	0	0	0	0	111.5	D55 L56 L57 I61 K62 T63	D55-V59 WeakPolarHBondContact O-CB 3.41Å; D55-V59 VanDerWaalsContact O-CG2 3.24Å; D55-V59 WeakPolarHBondContact O-CG2 3.15Å; D55-V59 PolarHBondContact O-N 2.74Å; L56-V59 PolarHBondContact O-N 2.82Å; L57-V59 VanDerWaalsContact C-N 3.3Å; L57-V59 PolarHBondContact O-N 3Å; V59-I61 PolarHBondContact O-N 2.94Å; V59-K62 PolarHBondContact O-N 2.97Å; V59-T63 PolarHBondContact O-N 3.06Å; V59-T63 PolarHBondContact O-OG1 2.95Å
60	R	48.1	Very low	51.2	Low	72 Å²	72	82.8 Å²	82.8	27%	0.272	39%	0.394	S	S	.	.	H	α-helix	trans	-59.1	-35.3	178.8	-83.1	-174.4	-179.7	-149.6	-5.5	112.6	L56 L57 T63 N64 D95 F98	L56-R60 PolarHBondContact O-N 3.37Å; L57-R60 PolarHBondContact O-N 3.27Å; R60-T63 VanDerWaalsContact CA-OG1 3.31Å; R60-T63 WeakPolarHBondContact CA-OG1 3.4Å; R60-T63 PolarHBondContact O-OG1 3.27Å; R60-N64 PolarHBondContact O-N 2.87Å; R60-D95 IonicContact CZ-OD2 2.67Å; R60-D95 IonicContact NH1-OD2 2.76Å; R60-D95 PolarHBondContact NH1-OD2 3.5Å; R60-D95 IonicContact NH2-OD2 3.23Å; R60-D95 PolarHBondContact NH2-OD2 3.24Å; R60-F98 VanDerWaalsContact CZ-CD2 3.48Å
61	I	44.9	Very low	50.6	Low	12 Å²	12	85.2 Å²	85.2	6%	0.062	41%	0.405	C	S	.	.	H	α-helix	trans	-79.8	-39.6	178.4	-67.6	164.9	0	0	0	111.1	L57 V59 T63 N64 F67 I68 W83 T87	L57-I61 HydrophobicContact CB-CD1 4.5Å; L57-I61 VanDerWaalsContact O-CB 3.28Å; L57-I61 WeakPolarHBondContact O-CB 3.46Å; L57-I61 WeakPolarHBondContact O-CD1 3.38Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.26Å; V59-I61 PolarHBondContact O-N 2.94Å; I61-T63 PolarHBondContact O-N 3.41Å; I61-N64 CarbonylContact O-C 3.47Å; I61-N64 VanDerWaalsContact O-CA 3.31Å; I61-N64 WeakPolarHBondContact O-CA 3.32Å; I61-N64 PolarHBondContact O-N 3Å; I61-F67 HydrophobicContact CD1-CD1 4.04Å; I61-F67 HydrophobicContact CG1-CD1 4.15Å; I61-F67 HydrophobicContact CG2-CB 3.49Å; I61-F67 VanDerWaalsContact CG2-CB 3.49Å; I61-F67 HydrophobicContact CG2-CD1 4.26Å; I61-F67 HydrophobicContact CG2-CG 4.37Å; I61-I68 HydrophobicContact CB-CD1 3.49Å; I61-I68 VanDerWaalsContact CB-CD1 3.49Å; I61-I68 HydrophobicContact CB-CG1 4.05Å; I61-I68 HydrophobicContact CD1-CD1 3.73Å; I61-I68 HydrophobicContact CD1-CG1 4.06Å; I61-I68 HydrophobicContact CG1-CD1 4.21Å; I61-I68 HydrophobicContact CG2-CB 3.85Å; I61-I68 HydrophobicContact CG2-CD1 3.25Å; I61-I68 HydrophobicContact CG2-CG1 3.27Å; I61-W83 HydrophobicContact CD1-CH2 3.17Å; I61-W83 HydrophobicContact CD1-CZ2 3.7Å; I61-W83 HydrophobicContact CD1-CZ3 4.08Å; I61-T87 HydrophobicContact CD1-CG2 4.24Å
62	K	44	Very low	49.7	Very low	151 Å²	151	84.6 Å²	84.6	66%	0.657	41%	0.409	S	S	*	.	H	α-helix	trans	-58.4	-33.6	173.4	-169.1	-178.3	178.7	-172.7	0	111.4	Y58 V59	Y58-K62 HydrophobicContact CE1-CD 4.45Å; Y58-K62 VanDerWaalsContact O-CB 3.26Å; Y58-K62 WeakPolarHBondContact O-CB 3.33Å; Y58-K62 PolarHBondContact O-N 3.45Å; V59-K62 PolarHBondContact O-N 2.97Å
63	T	46	Very low	49.1	Very low	113 Å²	113	83.8 Å²	83.8	69%	0.693	41%	0.409	S	S	*	.	H	α-helix	trans	-68.4	-32.8	171.1	45.6	0	0	0	0	112.9	V59 R60 I61 R65	V59-T63 PolarHBondContact O-N 3.06Å; V59-T63 PolarHBondContact O-OG1 2.95Å; R60-T63 VanDerWaalsContact CA-OG1 3.31Å; R60-T63 WeakPolarHBondContact CA-OG1 3.4Å; R60-T63 PolarHBondContact O-OG1 3.27Å; I61-T63 PolarHBondContact O-N 3.41Å; T63-R65 PolarHBondContact O-N 3.42Å
64	N	43.4	Very low	48.6	Very low	87 Å²	87	92.2 Å²	92.2	47%	0.465	44%	0.444	S	S	.	.	S	Bend	trans	-96.1	77.1	172	-161.8	-6.7	0	0	0	110.3	R60 I61 S66 F67	R60-N64 PolarHBondContact O-N 2.87Å; I61-N64 CarbonylContact O-C 3.47Å; I61-N64 VanDerWaalsContact O-CA 3.31Å; I61-N64 WeakPolarHBondContact O-CA 3.32Å; I61-N64 PolarHBondContact O-N 3Å; N64-S66 PolarHBondContact O-N 3.07Å; N64-F67 PolarHBondContact O-N 2.86Å
65	R	41.8	Very low	48.1	Very low	241 Å²	241	94.7 Å²	94.7	91%	0.909	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-14.7	-166.6	-71.1	-172.3	-173.9	-174.9	2.8	117	T63	T63-R65 PolarHBondContact O-N 3.42Å
66	S	44.9	Very low	47.5	Very low	102 Å²	102	97.2 Å²	97.2	71%	0.713	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.8	-178.2	61.8	0	0	0	0	115.8	N64	N64-S66 PolarHBondContact O-N 3.07Å
67	F	47.2	Very low	47.1	Very low	51 Å²	51	98.6 Å²	98.6	22%	0.224	49%	0.494	C	S	.	.	S	Bend	trans	-115.2	-10.6	-155.8	-148.1	-93.9	0	0	0	119.4	I61 N64 W83 T87 Y91	I61-F67 HydrophobicContact CD1-CD1 4.04Å; I61-F67 HydrophobicContact CG1-CD1 4.15Å; I61-F67 HydrophobicContact CG2-CB 3.49Å; I61-F67 VanDerWaalsContact CG2-CB 3.49Å; I61-F67 HydrophobicContact CG2-CD1 4.26Å; I61-F67 HydrophobicContact CG2-CG 4.37Å; N64-F67 PolarHBondContact O-N 2.86Å; F67-W83 HydrophobicContact CD1-CZ2 4.48Å; F67-W83 HydrophobicContact CE1-CZ2 4.45Å; F67-T87 HydrophobicContact CD1-CG2 4.13Å; F67-T87 HydrophobicContact CE1-CG2 3.54Å; F67-T87 HydrophobicContact CZ-CG2 4.44Å; F67-Y91 HydrophobicContact CD1-CE2 4.48Å; F67-Y91 HydrophobicContact CD2-CE2 4.14Å; F67-Y91 AromaticContact CD2-CZ 3.81Å; F67-Y91 WeakPolarHBondContact CD2-OH 3.45Å; F67-Y91 HydrophobicContact CE1-CD2 4.32Å; F67-Y91 AromaticContact CE1-CE2 3.71Å; F67-Y91 HydrophobicContact CE1-CE2 3.71Å; F67-Y91 HydrophobicContact CE2-CE1 4.38Å; F67-Y91 AromaticContact CE2-CE2 3.36Å; F67-Y91 HydrophobicContact CE2-CE2 3.36Å; F67-Y91 AromaticContact CE2-CZ 3.25Å; F67-Y91 WeakPolarHBondContact CE2-OH 3.43Å; F67-Y91 HydrophobicContact CZ-CD2 4.08Å; F67-Y91 AromaticContact CZ-CE2 3.09Å; F67-Y91 HydrophobicContact CZ-CE2 3.09Å; F67-Y91 AromaticContact CZ-CZ 3.57Å; F67-Y91 WeakPolarHBondContact CZ-OH 3.41Å
68	I	45	Very low	46.9	Very low	45 Å²	45	99.8 Å²	99.8	23%	0.231	50%	0.5	C	S	.	.			trans	-128.8	108.3	172.4	-72.1	159	0	0	0	110.8	Y58 I61 L73 W83	Y58-I68 HydrophobicContact CD2-CD1 3.9Å; Y58-I68 HydrophobicContact CE2-CD1 4.45Å; I61-I68 HydrophobicContact CB-CD1 3.49Å; I61-I68 VanDerWaalsContact CB-CD1 3.49Å; I61-I68 HydrophobicContact CB-CG1 4.05Å; I61-I68 HydrophobicContact CD1-CD1 3.73Å; I61-I68 HydrophobicContact CD1-CG1 4.06Å; I61-I68 HydrophobicContact CG1-CD1 4.21Å; I61-I68 HydrophobicContact CG2-CB 3.85Å; I61-I68 HydrophobicContact CG2-CD1 3.25Å; I61-I68 HydrophobicContact CG2-CG1 3.27Å; I68-L73 HydrophobicContact CG2-CD1 4.43Å; I68-W83 HydrophobicContact CD1-CH2 3.67Å; I68-W83 HydrophobicContact CD1-CZ2 4.23Å; I68-W83 HydrophobicContact CG1-CH2 3.62Å; I68-W83 HydrophobicContact CG1-CZ2 3.63Å
69	N	47.7	Very low	46.9	Very low	83 Å²	83	98.8 Å²	98.8	44%	0.444	51%	0.508	S	S	.	.			trans	-84.4	125.5	146.2	-171.8	-4.4	0	0	0	107.1	E71 C72	N69-E71 PolarHBondContact ND2-OE2 3.48Å; N69-E71 PolarHBondContact O-N 3.37Å; N69-E71 PolarHBondContact OD1-N 2.86Å; N69-E71 VanDerWaalsContact OD1-N 3.07Å; N69-C72 PolarHBondContact O-N 2.73Å
70	K	46.2	Very low	46.7	Very low	150 Å²	150	97 Å²	97	65%	0.652	49%	0.491	S	S	*	.	H	α-helix	trans	-58.8	-27.1	174.6	-83.5	-177.1	175.4	-179.8	0	111.8
71	E	47.6	Very low	46.6	Very low	120 Å²	120	96.5 Å²	96.5	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-67.1	-40.9	177.2	-68.9	172.1	148.7	0	0	112.3	N69 L73 K74 E75	N69-E71 PolarHBondContact ND2-OE2 3.48Å; N69-E71 PolarHBondContact O-N 3.37Å; N69-E71 PolarHBondContact OD1-N 2.86Å; N69-E71 VanDerWaalsContact OD1-N 3.07Å; E71-L73 PolarHBondContact O-N 3.41Å; E71-L73 VanDerWaalsContact O-N 3.14Å; E71-K74 PolarHBondContact O-N 3.39Å; E71-E75 PolarHBondContact O-N 2.67Å
72	C	45.4	Very low	47	Very low	68 Å²	68	101.7 Å²	101.7	46%	0.459	51%	0.513	S	S	.	.	H	α-helix	trans	-58.1	-33	178.8	-77.8	0	0	0	0	113.2	N69 E76	N69-C72 PolarHBondContact O-N 2.73Å; C72-E76 WeakPolarHBondContact O-CB 3.3Å; C72-E76 WeakPolarHBondContact O-CG 3.26Å; C72-E76 PolarHBondContact O-N 2.99Å
73	L	46	Very low	47.4	Very low	35 Å²	35	96 Å²	96	18%	0.183	49%	0.488	C	S	.	.	H	α-helix	trans	-72.3	-31.9	177.5	-69.8	174.2	0	0	0	112.5	I68 E71 Y80 W83	I68-L73 HydrophobicContact CG2-CD1 4.43Å; E71-L73 PolarHBondContact O-N 3.41Å; E71-L73 VanDerWaalsContact O-N 3.14Å; L73-Y80 HydrophobicContact CD1-CD2 4.31Å; L73-Y80 HydrophobicContact CD1-CE2 4.23Å; L73-W83 HydrophobicContact CD2-CB 3.88Å; L73-W83 HydrophobicContact CD2-CD2 3.38Å; L73-W83 HydrophobicContact CD2-CE3 3.84Å; L73-W83 HydrophobicContact CD2-CG 3.37Å; L73-W83 HydrophobicContact CD2-CZ2 4.35Å; L73-W83 HydrophobicContact CD2-CZ3 4.47Å
74	K	50	Low	47.6	Very low	190 Å²	190	90.8 Å²	90.8	83%	0.826	46%	0.456	S	S	*	.	H	α-helix	trans	-75.5	-44.6	175.7	-101.9	-171	172.1	-168.5	0	111.3	E71 G77	E71-K74 PolarHBondContact O-N 3.39Å; K74-G77 PolarHBondContact O-N 3.38Å
75	E	47.1	Very low	47.9	Very low	156 Å²	156	92.5 Å²	92.5	73%	0.729	46%	0.461	S	S	*	.	H	α-helix	trans	-66.2	-38.3	-175.1	-73.9	-179.3	160.4	0	0	113.1	E71 G77	E71-E75 PolarHBondContact O-N 2.67Å; E75-G77 PolarHBondContact O-N 3.06Å
76	E	47.8	Very low	48.4	Very low	135 Å²	135	85.4 Å²	85.4	63%	0.631	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-5	-174.7	-74.7	-81.9	145.4	0	0	113.6	C72 L78	C72-E76 WeakPolarHBondContact O-CB 3.3Å; C72-E76 WeakPolarHBondContact O-CG 3.26Å; C72-E76 PolarHBondContact O-N 2.99Å; E76-L78 HydrophobicContact CB-CB 4.29Å; E76-L78 HydrophobicContact CB-CD1 3.55Å; E76-L78 HydrophobicContact CB-CG 3.7Å; E76-L78 HydrophobicContact CG-CD1 4.15Å; E76-L78 PolarHBondContact O-N 3.07Å
77	G	50	Low	48.5	Very low	70 Å²	70	81.1 Å²	81.1	72%	0.722	41%	0.408	S	S	*	.			trans	55.4	13.7	-175.7	0	0	0	0	0	113.3	K74 E75 S79	K74-G77 PolarHBondContact O-N 3.38Å; E75-G77 PolarHBondContact O-N 3.06Å; G77-S79 PolarHBondContact O-N 2.89Å
78	L	47.9	Very low	48.6	Very low	27 Å²	27	80.6 Å²	80.6	14%	0.141	41%	0.407	C	S	.	.			trans	-74.3	120	-177.3	-71.5	167	0	0	0	106	E76 Y80 K82 W83	E76-L78 HydrophobicContact CB-CB 4.29Å; E76-L78 HydrophobicContact CB-CD1 3.55Å; E76-L78 HydrophobicContact CB-CG 3.7Å; E76-L78 HydrophobicContact CG-CD1 4.15Å; E76-L78 PolarHBondContact O-N 3.07Å; L78-Y80 PolarHBondContact O-N 2.87Å; L78-Y80 VanDerWaalsContact O-N 3.12Å; L78-K82 HydrophobicContact CD2-CB 3.89Å; L78-K82 HydrophobicContact CD2-CD 3.43Å; L78-K82 VanDerWaalsContact CD2-CD 3.43Å; L78-K82 HydrophobicContact CD2-CG 3.65Å; L78-W83 HydrophobicContact CB-CB 4.23Å; L78-W83 HydrophobicContact CD1-CB 4.24Å
79	S	52.6	Low	48.9	Very low	77 Å²	77	81.5 Å²	81.5	54%	0.538	42%	0.417	S	S	.	.			trans	-47.1	130.5	159.6	72.3	0	0	0	0	106.1	G77 F81 K82 W83	G77-S79 PolarHBondContact O-N 2.89Å; S79-F81 CarbonylContact O-C 3.5Å; S79-F81 PolarHBondContact O-N 3.46Å; S79-K82 PolarHBondContact O-N 2.86Å; S79-K82 PolarHBondContact OG-N 3.24Å; S79-W83 PolarHBondContact O-N 3.46Å
80	Y	46.7	Very low	49	Very low	51 Å²	51	85 Å²	85	20%	0.2	43%	0.428	C	S	.	.	H	α-helix	trans	-44.4	-31.8	-176.4	-178.5	-82	0	0	0	111.9	R54 L57 L73 L78 W83 A84	R54-Y80 VanDerWaalsContact CA-OH 3.31Å; R54-Y80 WeakPolarHBondContact CA-OH 3.46Å; R54-Y80 HydrophobicContact CB-CD1 3.95Å; R54-Y80 HydrophobicContact CB-CE1 3.47Å; R54-Y80 VanDerWaalsContact CB-CE1 3.47Å; R54-Y80 HydrophobicContact CB-CE2 4.5Å; R54-Y80 HydrophobicContact CG-CD1 3.82Å; R54-Y80 HydrophobicContact CG-CD2 3.98Å; R54-Y80 HydrophobicContact CG-CE1 3.43Å; R54-Y80 VanDerWaalsContact CG-CE1 3.43Å; R54-Y80 HydrophobicContact CG-CE2 3.54Å; R54-Y80 HydrophobicContact CG-CG 4.11Å; R54-Y80 PolarHBondContact O-OH 3.4Å; L57-Y80 HydrophobicContact CD1-CE1 4.49Å; L73-Y80 HydrophobicContact CD1-CD2 4.31Å; L73-Y80 HydrophobicContact CD1-CE2 4.23Å; L78-Y80 PolarHBondContact O-N 2.87Å; L78-Y80 VanDerWaalsContact O-N 3.12Å; Y80-W83 HydrophobicContact CE1-CZ3 4.4Å; Y80-W83 HydrophobicContact CE2-CE3 4.16Å; Y80-W83 AromaticContact CE2-CZ3 3.86Å; Y80-W83 HydrophobicContact CE2-CZ3 3.86Å; Y80-W83 AromaticContact CZ-CZ3 3.69Å; Y80-A84 HydrophobicContact CD1-CB 4.28Å; Y80-A84 HydrophobicContact CE1-CB 4.02Å; Y80-A84 WeakPolarHBondContact O-CB 3.44Å; Y80-A84 PolarHBondContact O-N 2.97Å
81	F	47.5	Very low	49.1	Very low	63 Å²	63	82.7 Å²	82.7	28%	0.276	42%	0.416	S	S	.	.	H	α-helix	trans	-56.1	-51.4	170.1	-97.1	-91.7	0	0	0	116.5	Q50 L53 S79 W83 A84 H85	Q50-F81 HydrophobicContact CB-CE2 3.33Å; Q50-F81 HydrophobicContact CB-CZ 3.61Å; Q50-F81 VanDerWaalsContact CD-CZ 3.5Å; Q50-F81 HydrophobicContact CG-CD2 4.32Å; Q50-F81 HydrophobicContact CG-CE1 4.39Å; Q50-F81 HydrophobicContact CG-CE2 3.24Å; Q50-F81 HydrophobicContact CG-CZ 3.26Å; L53-F81 HydrophobicContact CD1-CE1 3.96Å; L53-F81 HydrophobicContact CD1-CZ 3.96Å; S79-F81 CarbonylContact O-C 3.5Å; S79-F81 PolarHBondContact O-N 3.46Å; F81-W83 VanDerWaalsContact C-N 3.28Å; F81-W83 PolarHBondContact O-N 3.43Å; F81-A84 PolarHBondContact O-N 2.91Å; F81-H85 WeakPolarHBondContact O-CB 3.48Å; F81-H85 PolarHBondContact O-N 3.13Å
82	K	52.8	Low	49	Very low	121 Å²	121	83.8 Å²	83.8	53%	0.526	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-40.5	-178.6	-169.6	170.3	165.5	-169.9	0	110.1	L78 S79 Q86	L78-K82 HydrophobicContact CD2-CB 3.89Å; L78-K82 HydrophobicContact CD2-CD 3.43Å; L78-K82 VanDerWaalsContact CD2-CD 3.43Å; L78-K82 HydrophobicContact CD2-CG 3.65Å; S79-K82 PolarHBondContact O-N 2.86Å; S79-K82 PolarHBondContact OG-N 3.24Å; K82-Q86 VanDerWaalsContact O-CB 3.26Å; K82-Q86 WeakPolarHBondContact O-CB 3.46Å; K82-Q86 WeakPolarHBondContact O-CG 3.4Å; K82-Q86 PolarHBondContact O-N 2.89Å
83	W	51.7	Low	49.2	Very low	31 Å²	31	82.9 Å²	82.9	12%	0.117	41%	0.412	C	S	.	.	H	α-helix	trans	-65.3	-45	172.5	173.6	88.5	0	0	0	112.6	I61 F67 I68 L73 L78 S79 Y80 F81 H85 Q86 T87	I61-W83 HydrophobicContact CD1-CH2 3.17Å; I61-W83 HydrophobicContact CD1-CZ2 3.7Å; I61-W83 HydrophobicContact CD1-CZ3 4.08Å; F67-W83 HydrophobicContact CD1-CZ2 4.48Å; F67-W83 HydrophobicContact CE1-CZ2 4.45Å; I68-W83 HydrophobicContact CD1-CH2 3.67Å; I68-W83 HydrophobicContact CD1-CZ2 4.23Å; I68-W83 HydrophobicContact CG1-CH2 3.62Å; I68-W83 HydrophobicContact CG1-CZ2 3.63Å; L73-W83 HydrophobicContact CD2-CB 3.88Å; L73-W83 HydrophobicContact CD2-CD2 3.38Å; L73-W83 HydrophobicContact CD2-CE3 3.84Å; L73-W83 HydrophobicContact CD2-CG 3.37Å; L73-W83 HydrophobicContact CD2-CZ2 4.35Å; L73-W83 HydrophobicContact CD2-CZ3 4.47Å; L78-W83 HydrophobicContact CB-CB 4.23Å; L78-W83 HydrophobicContact CD1-CB 4.24Å; S79-W83 PolarHBondContact O-N 3.46Å; Y80-W83 HydrophobicContact CE1-CZ3 4.4Å; Y80-W83 HydrophobicContact CE2-CE3 4.16Å; Y80-W83 AromaticContact CE2-CZ3 3.86Å; Y80-W83 HydrophobicContact CE2-CZ3 3.86Å; Y80-W83 AromaticContact CZ-CZ3 3.69Å; F81-W83 VanDerWaalsContact C-N 3.28Å; F81-W83 PolarHBondContact O-N 3.43Å; W83-H85 PolarHBondContact O-N 3.28Å; W83-Q86 PolarHBondContact O-N 2.9Å; W83-T87 VanDerWaalsContact O-CB 3.27Å; W83-T87 WeakPolarHBondContact O-CB 3.39Å; W83-T87 PolarHBondContact O-N 3.17Å; W83-T87 PolarHBondContact O-OG1 3Å
84	A	50.7	Low	49.3	Very low	4 Å²	4	87.4 Å²	87.4	3%	0.033	44%	0.436	C	S	.	.	H	α-helix	trans	-58.9	-48.2	177.6	0	0	0	0	0	111	L57 Y80 F81 T87 I88	L57-A84 HydrophobicContact CD1-CB 3.26Å; Y80-A84 HydrophobicContact CD1-CB 4.28Å; Y80-A84 HydrophobicContact CE1-CB 4.02Å; Y80-A84 WeakPolarHBondContact O-CB 3.44Å; Y80-A84 PolarHBondContact O-N 2.97Å; F81-A84 PolarHBondContact O-N 2.91Å; A84-T87 PolarHBondContact O-N 3.44Å; A84-I88 WeakPolarHBondContact O-CB 3.35Å; A84-I88 WeakPolarHBondContact O-CD1 3.48Å; A84-I88 WeakPolarHBondContact O-CG1 3.43Å; A84-I88 PolarHBondContact O-N 3.04Å
85	H	49	Very low	49.5	Very low	123 Å²	123	81.2 Å²	81.2	57%	0.569	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-45.5	178.1	-173.5	-86.1	0	0	0	112	F81 W83 T87 I88 S89	F81-H85 WeakPolarHBondContact O-CB 3.48Å; F81-H85 PolarHBondContact O-N 3.13Å; W83-H85 PolarHBondContact O-N 3.28Å; H85-T87 VanDerWaalsContact C-N 3.3Å; H85-T87 PolarHBondContact O-N 3.02Å; H85-I88 PolarHBondContact O-N 3.44Å; H85-S89 VanDerWaalsContact O-CB 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.42Å; H85-S89 PolarHBondContact O-N 3.23Å; H85-S89 PolarHBondContact O-OG 3.5Å
86	Q	52.7	Low	49.9	Very low	92 Å²	92	78.7 Å²	78.7	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-40.1	174.4	-78.1	174.5	-15.4	0	0	111.5	K82 W83 S89 K90	K82-Q86 VanDerWaalsContact O-CB 3.26Å; K82-Q86 WeakPolarHBondContact O-CB 3.46Å; K82-Q86 WeakPolarHBondContact O-CG 3.4Å; K82-Q86 PolarHBondContact O-N 2.89Å; W83-Q86 PolarHBondContact O-N 2.9Å; Q86-S89 PolarHBondContact O-N 3.19Å; Q86-K90 WeakPolarHBondContact O-CB 3.36Å; Q86-K90 PolarHBondContact O-N 3.01Å
87	T	48	Very low	50.6	Low	12 Å²	12	76.3 Å²	76.3	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-67.2	-47.4	177.8	-59.2	0	0	0	0	110.8	I61 F67 W83 A84 H85 S89 K90 Y91	I61-T87 HydrophobicContact CD1-CG2 4.24Å; F67-T87 HydrophobicContact CD1-CG2 4.13Å; F67-T87 HydrophobicContact CE1-CG2 3.54Å; F67-T87 HydrophobicContact CZ-CG2 4.44Å; W83-T87 VanDerWaalsContact O-CB 3.27Å; W83-T87 WeakPolarHBondContact O-CB 3.39Å; W83-T87 PolarHBondContact O-N 3.17Å; W83-T87 PolarHBondContact O-OG1 3Å; A84-T87 PolarHBondContact O-N 3.44Å; H85-T87 VanDerWaalsContact C-N 3.3Å; H85-T87 PolarHBondContact O-N 3.02Å; T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 2.95Å; T87-K90 PolarHBondContact O-N 2.83Å; T87-Y91 HydrophobicContact CG2-CD2 3.86Å; T87-Y91 HydrophobicContact CG2-CE2 4.43Å; T87-Y91 WeakPolarHBondContact O-CB 3.37Å; T87-Y91 WeakPolarHBondContact O-CD2 3.29Å; T87-Y91 PolarHBondContact O-N 2.8Å
88	I	47.9	Very low	50.9	Low	40 Å²	40	73.1 Å²	73.1	21%	0.205	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-46.4	175.3	-69.2	162.3	0	0	0	110.6	L57 A84 H85 L93 F98	L57-I88 HydrophobicContact CD1-CD1 4.12Å; L57-I88 HydrophobicContact CD1-CG1 4.46Å; L57-I88 HydrophobicContact CD2-CD1 4.28Å; L57-I88 HydrophobicContact CD2-CG1 3.87Å; A84-I88 WeakPolarHBondContact O-CB 3.35Å; A84-I88 WeakPolarHBondContact O-CD1 3.48Å; A84-I88 WeakPolarHBondContact O-CG1 3.43Å; A84-I88 PolarHBondContact O-N 3.04Å; H85-I88 PolarHBondContact O-N 3.44Å; I88-L93 HydrophobicContact CB-CD1 4.49Å; I88-L93 HydrophobicContact CG1-CD1 4.14Å; I88-L93 HydrophobicContact CG2-CB 4.43Å; I88-L93 PolarHBondContact O-N 3.21Å; I88-F98 HydrophobicContact CD1-CE1 3.82Å; I88-F98 HydrophobicContact CD1-CZ 4.21Å; I88-F98 HydrophobicContact CG1-CE1 4.18Å
89	S	51.3	Low	51.3	Low	63 Å²	63	75.5 Å²	75.5	44%	0.441	38%	0.378	S	S	.	.	H	α-helix	trans	-66.6	-46.4	-179.6	-60.4	0	0	0	0	112.1	H85 Q86 T87 H92	H85-S89 VanDerWaalsContact O-CB 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.42Å; H85-S89 PolarHBondContact O-N 3.23Å; H85-S89 PolarHBondContact O-OG 3.5Å; Q86-S89 PolarHBondContact O-N 3.19Å; T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 2.95Å; S89-H92 PolarHBondContact O-N 3.41Å
90	K	51.2	Low	51.9	Low	156 Å²	156	78.6 Å²	78.6	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-69.5	-34.9	-176.5	-174.7	176.1	-178.5	179.4	0	112.4	Q86 T87 H92	Q86-K90 WeakPolarHBondContact O-CB 3.36Å; Q86-K90 PolarHBondContact O-N 3.01Å; T87-K90 PolarHBondContact O-N 2.83Å; K90-H92 VanDerWaalsContact C-N 3.25Å; K90-H92 PolarHBondContact O-N 3.32Å
91	Y	47.7	Very low	52.5	Low	103 Å²	103	78.6 Å²	78.6	40%	0.404	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	7.9	-178	-81.4	-83.4	0	0	0	114.3	F67 T87 L93	F67-Y91 HydrophobicContact CD1-CE2 4.48Å; F67-Y91 HydrophobicContact CD2-CE2 4.14Å; F67-Y91 AromaticContact CD2-CZ 3.81Å; F67-Y91 WeakPolarHBondContact CD2-OH 3.45Å; F67-Y91 HydrophobicContact CE1-CD2 4.32Å; F67-Y91 AromaticContact CE1-CE2 3.71Å; F67-Y91 HydrophobicContact CE1-CE2 3.71Å; F67-Y91 HydrophobicContact CE2-CE1 4.38Å; F67-Y91 AromaticContact CE2-CE2 3.36Å; F67-Y91 HydrophobicContact CE2-CE2 3.36Å; F67-Y91 AromaticContact CE2-CZ 3.25Å; F67-Y91 WeakPolarHBondContact CE2-OH 3.43Å; F67-Y91 HydrophobicContact CZ-CD2 4.08Å; F67-Y91 AromaticContact CZ-CE2 3.09Å; F67-Y91 HydrophobicContact CZ-CE2 3.09Å; F67-Y91 AromaticContact CZ-CZ 3.57Å; F67-Y91 WeakPolarHBondContact CZ-OH 3.41Å; T87-Y91 HydrophobicContact CG2-CD2 3.86Å; T87-Y91 HydrophobicContact CG2-CE2 4.43Å; T87-Y91 WeakPolarHBondContact O-CB 3.37Å; T87-Y91 WeakPolarHBondContact O-CD2 3.29Å; T87-Y91 PolarHBondContact O-N 2.8Å; Y91-L93 PolarHBondContact O-N 3Å; Y91-L93 VanDerWaalsContact O-N 3.15Å
92	H	46.3	Very low	52.9	Low	143 Å²	143	75.9 Å²	75.9	66%	0.662	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.4	57.2	-174.6	-71.2	-71.6	0	0	0	109.3	S89 K90 N94	S89-H92 PolarHBondContact O-N 3.41Å; K90-H92 VanDerWaalsContact C-N 3.25Å; K90-H92 PolarHBondContact O-N 3.32Å; H92-N94 PolarHBondContact O-N 3.38Å
93	L	48.2	Very low	53.3	Low	49 Å²	49	75.1 Å²	75.1	26%	0.257	37%	0.368	S	S	.	.			trans	-68.9	63.6	166.2	-69	176.3	0	0	0	107.5	I88 Y91 D95	I88-L93 HydrophobicContact CB-CD1 4.49Å; I88-L93 HydrophobicContact CG1-CD1 4.14Å; I88-L93 HydrophobicContact CG2-CB 4.43Å; I88-L93 PolarHBondContact O-N 3.21Å; Y91-L93 PolarHBondContact O-N 3Å; Y91-L93 VanDerWaalsContact O-N 3.15Å; L93-D95 HydrophobicContact CD2-CB 4.48Å; L93-D95 PolarHBondContact O-N 3.07Å
94	N	48.5	Very low	54.2	Low	130 Å²	130	77.6 Å²	77.6	70%	0.695	38%	0.383	S	S	*	.			trans	-57.9	3.5	154.5	-69.7	-6.3	0	0	0	111.1	H92 T96	H92-N94 PolarHBondContact O-N 3.38Å; N94-T96 PolarHBondContact O-N 3.37Å
95	D	53.4	Low	54.8	Low	60 Å²	60	82.1 Å²	82.1	32%	0.321	40%	0.399	S	S	.	.			trans	-63.2	75	162.8	-163.2	7.8	0	0	0	108.8	R60 L93 Q97 F98 V99	R60-D95 IonicContact CZ-OD2 2.67Å; R60-D95 IonicContact NH1-OD2 2.76Å; R60-D95 PolarHBondContact NH1-OD2 3.5Å; R60-D95 IonicContact NH2-OD2 3.23Å; R60-D95 PolarHBondContact NH2-OD2 3.24Å; L93-D95 HydrophobicContact CD2-CB 4.48Å; L93-D95 PolarHBondContact O-N 3.07Å; D95-Q97 PolarHBondContact O-N 3.1Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.38Å; D95-F98 HydrophobicContact CB-CB 4.24Å; D95-F98 WeakPolarHBondContact O-CA 3.1Å; D95-F98 VanDerWaalsContact O-CB 3.29Å; D95-F98 WeakPolarHBondContact O-CB 3.27Å; D95-F98 PolarHBondContact O-N 2.91Å; D95-V99 PolarHBondContact O-N 2.77Å
96	T	56.3	Low	55.2	Low	102 Å²	102	80.5 Å²	80.5	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-46.8	-26	169.5	41.6	0	0	0	0	111.4	N94 R100	N94-T96 PolarHBondContact O-N 3.37Å; T96-R100 WeakPolarHBondContact O-CB 3.46Å; T96-R100 PolarHBondContact O-N 3.42Å
97	Q	61.7	Low	56.1	Low	85 Å²	85	80 Å²	80	40%	0.397	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-43.2	170.9	-166.6	60.6	31.9	0	0	112.6	D95 R100 D101	D95-Q97 PolarHBondContact O-N 3.1Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.38Å; Q97-R100 PolarHBondContact O-N 3.11Å; Q97-D101 PolarHBondContact NE2-OD1 3.04Å; Q97-D101 WeakPolarHBondContact O-CB 3.44Å; Q97-D101 PolarHBondContact O-N 2.83Å
98	F	56.6	Low	57.2	Low	4 Å²	4	84.4 Å²	84.4	2%	0.018	40%	0.404	C	S	.	.	H	α-helix	trans	-60.4	-50.8	176.7	178.1	-95.2	0	0	0	111.7	L53 L56 L57 R60 I88 D95 R100 D101 V102	L53-F98 HydrophobicContact CD2-CE1 4.16Å; L53-F98 HydrophobicContact CD2-CZ 3.85Å; L56-F98 HydrophobicContact CB-CE2 4.21Å; L56-F98 HydrophobicContact CD2-CD2 3.36Å; L56-F98 HydrophobicContact CD2-CE2 3.19Å; L56-F98 HydrophobicContact CD2-CZ 4.31Å; L56-F98 HydrophobicContact CG-CE2 4.16Å; L57-F98 HydrophobicContact CD2-CE2 4.43Å; L57-F98 HydrophobicContact CD2-CZ 4.09Å; L57-F98 HydrophobicContact CG-CZ 4.21Å; R60-F98 VanDerWaalsContact CZ-CD2 3.48Å; I88-F98 HydrophobicContact CD1-CE1 3.82Å; I88-F98 HydrophobicContact CD1-CZ 4.21Å; I88-F98 HydrophobicContact CG1-CE1 4.18Å; D95-F98 HydrophobicContact CB-CB 4.24Å; D95-F98 WeakPolarHBondContact O-CA 3.1Å; D95-F98 VanDerWaalsContact O-CB 3.29Å; D95-F98 WeakPolarHBondContact O-CB 3.27Å; D95-F98 PolarHBondContact O-N 2.91Å; F98-R100 PolarHBondContact O-N 3.37Å; F98-D101 PolarHBondContact O-N 2.64Å; F98-V102 HydrophobicContact CD1-CG2 4.12Å; F98-V102 HydrophobicContact CD2-CG2 4.47Å; F98-V102 HydrophobicContact CE1-CG2 3.78Å; F98-V102 HydrophobicContact CE2-CG2 4.19Å; F98-V102 HydrophobicContact CG-CG2 4.45Å; F98-V102 HydrophobicContact CZ-CG2 3.81Å; F98-V102 VanDerWaalsContact O-CB 3.32Å; F98-V102 WeakPolarHBondContact O-CB 3.04Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.03Å
99	V	57.2	Low	57.6	Low	76 Å²	76	83.1 Å²	83.1	46%	0.461	40%	0.397	S	S	.	.	H	α-helix	trans	-59.6	-41.9	179.4	177.8	0	0	0	0	110	D95 Q103	D95-V99 PolarHBondContact O-N 2.77Å; V99-Q103 WeakPolarHBondContact O-CB 3.4Å; V99-Q103 PolarHBondContact O-N 2.86Å
100	R	64	Low	58.2	Low	142 Å²	142	83 Å²	83	54%	0.536	39%	0.39	S	S	.	.	H	α-helix	trans	-65.5	-44.5	176.8	-170.2	-176.2	-65.4	173.2	-1.3	112.5	T96 Q97 F98 V102 Q103 N104	T96-R100 WeakPolarHBondContact O-CB 3.46Å; T96-R100 PolarHBondContact O-N 3.42Å; Q97-R100 PolarHBondContact O-N 3.11Å; F98-R100 PolarHBondContact O-N 3.37Å; R100-V102 VanDerWaalsContact C-N 3.31Å; R100-V102 PolarHBondContact O-N 3.42Å; R100-Q103 PolarHBondContact O-N 3.5Å; R100-N104 VanDerWaalsContact O-CB 3.27Å; R100-N104 WeakPolarHBondContact O-CB 3.21Å; R100-N104 PolarHBondContact O-N 3.25Å; R100-N104 PolarHBondContact O-ND2 3.24Å; R100-N104 PolarHBondContact O-OD1 3.26Å
101	D	60.8	Low	59.1	Low	52 Å²	52	81.4 Å²	81.4	28%	0.278	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-42.3	178.5	-70.8	-15.2	0	0	0	111	Q97 F98 R105	Q97-D101 PolarHBondContact NE2-OD1 3.04Å; Q97-D101 WeakPolarHBondContact O-CB 3.44Å; Q97-D101 PolarHBondContact O-N 2.83Å; F98-D101 PolarHBondContact O-N 2.64Å; D101-R105 VanDerWaalsContact O-CB 3.29Å; D101-R105 WeakPolarHBondContact O-CB 3.28Å; D101-R105 PolarHBondContact O-N 3.42Å
102	V	55	Low	59.7	Low	5 Å²	5	83.3 Å²	83.3	3%	0.03	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-48.1	174.6	166.6	0	0	0	0	111.1	Y49 Y52 L53 F98 R100 R105 K106	Y49-V102 HydrophobicContact CD2-CG1 4.26Å; Y49-V102 HydrophobicContact CE1-CG1 4.47Å; Y49-V102 HydrophobicContact CE2-CB 4.42Å; Y49-V102 HydrophobicContact CE2-CG1 3.18Å; Y49-V102 WeakPolarHBondContact CE2-O 3.3Å; Y49-V102 WeakPolarHBondContact OH-CG1 3.41Å; Y52-V102 HydrophobicContact CD1-CG2 4.32Å; Y52-V102 HydrophobicContact CE1-CB 4.36Å; Y52-V102 HydrophobicContact CE1-CG2 3.77Å; L53-V102 HydrophobicContact CD2-CB 4.38Å; L53-V102 HydrophobicContact CD2-CG1 3.78Å; L53-V102 HydrophobicContact CD2-CG2 3.57Å; L53-V102 HydrophobicContact CG-CG1 4.34Å; F98-V102 HydrophobicContact CD1-CG2 4.12Å; F98-V102 HydrophobicContact CD2-CG2 4.47Å; F98-V102 HydrophobicContact CE1-CG2 3.78Å; F98-V102 HydrophobicContact CE2-CG2 4.19Å; F98-V102 HydrophobicContact CG-CG2 4.45Å; F98-V102 HydrophobicContact CZ-CG2 3.81Å; F98-V102 VanDerWaalsContact O-CB 3.32Å; F98-V102 WeakPolarHBondContact O-CB 3.04Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.03Å; R100-V102 VanDerWaalsContact C-N 3.31Å; R100-V102 PolarHBondContact O-N 3.42Å; V102-R105 PolarHBondContact O-N 2.93Å; V102-K106 PolarHBondContact O-N 3.48Å; V102-K106 VanDerWaalsContact O-N 3.09Å
103	Q	62.1	Low	60.4	Low	105 Å²	105	76.6 Å²	76.6	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-47.9	178.8	-175.2	167.4	-14	0	0	112.4	V99 R100 R105 K106 E107	V99-Q103 WeakPolarHBondContact O-CB 3.4Å; V99-Q103 PolarHBondContact O-N 2.86Å; R100-Q103 PolarHBondContact O-N 3.5Å; Q103-R105 PolarHBondContact O-N 2.91Å; Q103-K106 WeakPolarHBondContact O-CB 3.49Å; Q103-K106 PolarHBondContact O-N 3.46Å; Q103-E107 PolarHBondContact NE2-OE1 2.86Å; Q103-E107 PolarHBondContact O-N 2.93Å
104	N	69.7	Low	61.1	Low	83 Å²	83	78.7 Å²	78.7	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-55.5	-37.1	174.9	-71.5	-13.9	0	0	0	111.4	R100 W108	R100-N104 VanDerWaalsContact O-CB 3.27Å; R100-N104 WeakPolarHBondContact O-CB 3.21Å; R100-N104 PolarHBondContact O-N 3.25Å; R100-N104 PolarHBondContact O-ND2 3.24Å; R100-N104 PolarHBondContact O-OD1 3.26Å; N104-W108 WeakPolarHBondContact O-CB 3.49Å; N104-W108 PolarHBondContact O-N 2.92Å
105	R	63	Low	61.6	Low	99 Å²	99	75.3 Å²	75.3	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-71.2	-36.9	178.7	-168.1	58.3	167.7	179.4	-0.6	112.5	Y52 D101 V102 Q103 W108 L109	Y52-R105 HydrophobicContact CD1-CB 4.25Å; Y52-R105 HydrophobicContact CD1-CG 4.13Å; Y52-R105 HydrophobicContact CD2-CG 3.97Å; Y52-R105 HydrophobicContact CE1-CB 4.09Å; Y52-R105 HydrophobicContact CE1-CG 4.29Å; Y52-R105 HydrophobicContact CE2-CG 4.12Å; Y52-R105 HydrophobicContact CG-CG 3.96Å; D101-R105 VanDerWaalsContact O-CB 3.29Å; D101-R105 WeakPolarHBondContact O-CB 3.28Å; D101-R105 PolarHBondContact O-N 3.42Å; V102-R105 PolarHBondContact O-N 2.93Å; Q103-R105 PolarHBondContact O-N 2.91Å; R105-W108 VanDerWaalsContact NH1-CE3 3.33Å; R105-L109 WeakPolarHBondContact O-CG 3.36Å; R105-L109 PolarHBondContact O-N 3.35Å
106	K	58.6	Low	61.6	Low	89 Å²	89	74.9 Å²	74.9	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-51.5	172.5	-170.7	-172	174.9	-164.1	0	110.7	V45 Y49 V102 Q103 W108 L109 E110	V45-K106 HydrophobicContact CG1-CG 3.93Å; Y49-K106 HydrophobicContact CD2-CB 3.71Å; Y49-K106 HydrophobicContact CD2-CG 4.11Å; Y49-K106 HydrophobicContact CE2-CB 3.89Å; Y49-K106 HydrophobicContact CE2-CD 4.45Å; Y49-K106 HydrophobicContact CE2-CG 4.42Å; V102-K106 PolarHBondContact O-N 3.48Å; V102-K106 VanDerWaalsContact O-N 3.09Å; Q103-K106 WeakPolarHBondContact O-CB 3.49Å; Q103-K106 PolarHBondContact O-N 3.46Å; K106-W108 VanDerWaalsContact C-N 3.32Å; K106-W108 PolarHBondContact O-N 2.88Å; K106-L109 WeakPolarHBondContact O-CB 3.3Å; K106-L109 PolarHBondContact O-N 3.01Å; K106-E110 WeakPolarHBondContact CE-OE1 3.22Å; K106-E110 IonicContact NZ-OE1 3.13Å; K106-E110 WeakPolarHBondContact O-CG 3.44Å; K106-E110 PolarHBondContact O-N 3.46Å
107	E	70.8	Confident	61.4	Low	82 Å²	82	72.4 Å²	72.4	38%	0.383	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-42.6	179.2	-68.9	172.5	-168.4	0	0	111.5	Q103 L109 E110 Q111	Q103-E107 PolarHBondContact NE2-OE1 2.86Å; Q103-E107 PolarHBondContact O-N 2.93Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 3.15Å; E107-E110 PolarHBondContact O-N 3.25Å; E107-Q111 WeakPolarHBondContact O-CG 3.48Å; E107-Q111 PolarHBondContact O-N 2.96Å
108	W	70.6	Confident	61.1	Low	105 Å²	105	72 Å²	72	40%	0.398	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-39	174.5	177.8	85.2	0	0	0	113.1	N104 R105 K106 R112	N104-W108 WeakPolarHBondContact O-CB 3.49Å; N104-W108 PolarHBondContact O-N 2.92Å; R105-W108 VanDerWaalsContact NH1-CE3 3.33Å; K106-W108 VanDerWaalsContact C-N 3.32Å; K106-W108 PolarHBondContact O-N 2.88Å; W108-R112 WeakPolarHBondContact O-CB 3.42Å; W108-R112 PolarHBondContact O-N 2.96Å
109	L	56.2	Low	60.6	Low	13 Å²	13	75.2 Å²	75.2	7%	0.068	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-41.6	176.2	-74.2	165.3	0	0	0	111.4	V45 K48 R105 K106 E107 R112 L113	V45-L109 HydrophobicContact CG2-CB 4.47Å; K48-L109 HydrophobicContact CB-CD1 3.53Å; K48-L109 HydrophobicContact CB-CD2 3.89Å; K48-L109 HydrophobicContact CB-CG 4.34Å; K48-L109 HydrophobicContact CG-CD2 4.21Å; R105-L109 WeakPolarHBondContact O-CG 3.36Å; R105-L109 PolarHBondContact O-N 3.35Å; K106-L109 WeakPolarHBondContact O-CB 3.3Å; K106-L109 PolarHBondContact O-N 3.01Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 3.15Å; L109-R112 PolarHBondContact O-N 2.97Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 PolarHBondContact O-N 3.31Å
110	E	64.2	Low	60.3	Low	59 Å²	59	80.3 Å²	80.3	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-48.6	175.9	-71.6	171.9	171.6	0	0	111.1	V45 K106 E107 R112 L113 E114	V45-E110 HydrophobicContact CB-CG 4.42Å; V45-E110 HydrophobicContact CG1-CG 3.72Å; V45-E110 HydrophobicContact CG2-CG 3.87Å; K106-E110 WeakPolarHBondContact CE-OE1 3.22Å; K106-E110 IonicContact NZ-OE1 3.13Å; K106-E110 WeakPolarHBondContact O-CG 3.44Å; K106-E110 PolarHBondContact O-N 3.46Å; E107-E110 PolarHBondContact O-N 3.25Å; E110-R112 PolarHBondContact O-N 3.22Å; E110-L113 PolarHBondContact O-N 3.34Å; E110-E114 WeakPolarHBondContact O-CG 3.24Å; E110-E114 PolarHBondContact O-N 3.08Å
111	Q	70.7	Confident	59.5	Low	123 Å²	123	77 Å²	77	58%	0.575	38%	0.377	S	S	*	.	H	α-helix	trans	-62	-42.2	177.2	-72.1	175.6	3.2	0	0	112.6	E107 L113 E114 S115	E107-Q111 WeakPolarHBondContact O-CG 3.48Å; E107-Q111 PolarHBondContact O-N 2.96Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.31Å; Q111-E114 PolarHBondContact O-N 3.49Å; Q111-S115 WeakPolarHBondContact O-CB 3.07Å; Q111-S115 PolarHBondContact O-N 2.87Å
112	R	60.9	Low	58.8	Low	143 Å²	143	77.9 Å²	77.9	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-38.9	178.3	-171.6	167.6	173.5	87.1	-0.4	110.7	W108 L109 E110 S115 M116	W108-R112 WeakPolarHBondContact O-CB 3.42Å; W108-R112 PolarHBondContact O-N 2.96Å; L109-R112 PolarHBondContact O-N 2.97Å; E110-R112 PolarHBondContact O-N 3.22Å; R112-S115 PolarHBondContact O-N 3.42Å; R112-S115 PolarHBondContact O-OG 2.83Å; R112-M116 VanDerWaalsContact O-CG 3.3Å; R112-M116 WeakPolarHBondContact O-CG 3.48Å; R112-M116 PolarHBondContact O-N 2.95Å
113	L	59.8	Low	58.7	Low	3 Å²	3	83.2 Å²	83.2	2%	0.016	41%	0.412	C	S	.	.	H	α-helix	trans	-70.5	-41.5	176.9	-171.3	50.6	0	0	0	112.2	R41 Y44 V45 L109 E110 Q111 S115 M116 V117 L128	R41-L113 HydrophobicContact CB-CD2 3.83Å; R41-L113 HydrophobicContact CB-CG 4.49Å; R41-L113 HydrophobicContact CG-CD2 3.41Å; R41-L113 VanDerWaalsContact CG-CD2 3.41Å; R41-L113 HydrophobicContact CG-CG 3.89Å; Y44-L113 HydrophobicContact CD1-CD2 3.81Å; Y44-L113 HydrophobicContact CG-CD2 4.35Å; V45-L113 HydrophobicContact CG2-CD2 4.1Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 PolarHBondContact O-N 3.31Å; E110-L113 PolarHBondContact O-N 3.34Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.31Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.12Å; L113-M116 HydrophobicContact CD1-CB 4.5Å; L113-M116 PolarHBondContact O-N 3.37Å; L113-M116 VanDerWaalsContact O-N 3.1Å; L113-V117 WeakPolarHBondContact O-CG2 3.14Å; L113-V117 PolarHBondContact O-N 2.94Å; L113-L128 HydrophobicContact CD1-CD2 4.29Å
114	E	62.7	Low	58	Low	92 Å²	92	80.6 Å²	80.6	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-56.2	-43	170.1	-77.7	-178.9	170.9	0	0	111.6	R41 E110 Q111 M116 V117 A118	R41-E114 IonicContact CZ-OE1 2.83Å; R41-E114 VanDerWaalsContact CZ-OE1 3.23Å; R41-E114 IonicContact NH1-OE1 3.12Å; R41-E114 PolarHBondContact NH1-OE1 2.93Å; R41-E114 VanDerWaalsContact NH2-CD 3.31Å; R41-E114 IonicContact NH2-OE1 2.99Å; R41-E114 PolarHBondContact NH2-OE1 3.36Å; E110-E114 WeakPolarHBondContact O-CG 3.24Å; E110-E114 PolarHBondContact O-N 3.08Å; Q111-E114 PolarHBondContact O-N 3.49Å; E114-M116 VanDerWaalsContact C-N 3.32Å; E114-M116 PolarHBondContact O-N 3.47Å; E114-V117 PolarHBondContact O-N 2.87Å; E114-A118 WeakPolarHBondContact O-CB 3.31Å; E114-A118 PolarHBondContact O-N 3.29Å
115	S	60.2	Low	56.8	Low	59 Å²	59	78.6 Å²	78.6	41%	0.413	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-41	176	78.1	0	0	0	0	111.7	Q111 R112 L113 V117 A118 V119	Q111-S115 WeakPolarHBondContact O-CB 3.07Å; Q111-S115 PolarHBondContact O-N 2.87Å; R112-S115 PolarHBondContact O-N 3.42Å; R112-S115 PolarHBondContact O-OG 2.83Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.12Å; S115-V117 PolarHBondContact O-N 2.99Å; S115-A118 PolarHBondContact O-N 3.46Å; S115-V119 WeakPolarHBondContact O-CG2 3.29Å; S115-V119 PolarHBondContact O-N 3.41Å
116	M	52.6	Low	56.1	Low	52 Å²	52	75.6 Å²	75.6	26%	0.256	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-33.6	177.6	-68.8	177	84.4	0	0	112.5	R112 L113 E114 I124 L128	R112-M116 VanDerWaalsContact O-CG 3.3Å; R112-M116 WeakPolarHBondContact O-CG 3.48Å; R112-M116 PolarHBondContact O-N 2.95Å; L113-M116 HydrophobicContact CD1-CB 4.5Å; L113-M116 PolarHBondContact O-N 3.37Å; L113-M116 VanDerWaalsContact O-N 3.1Å; E114-M116 VanDerWaalsContact C-N 3.32Å; E114-M116 PolarHBondContact O-N 3.47Å; M116-I124 HydrophobicContact CB-CG2 4.5Å; M116-I124 HydrophobicContact CE-CG2 3.87Å; M116-L128 HydrophobicContact CE-CD1 4.3Å
117	V	52	Low	56.1	Low	50 Å²	50	76.3 Å²	76.3	30%	0.303	40%	0.398	S	S	.	.	H	α-helix	trans	-75.3	-36.2	173.8	173.9	0	0	0	0	111.4	L37 L113 E114 S115	L37-V117 HydrophobicContact CD2-CG1 3.95Å; L37-V117 HydrophobicContact CD2-CG2 4.22Å; L113-V117 WeakPolarHBondContact O-CG2 3.14Å; L113-V117 PolarHBondContact O-N 2.94Å; E114-V117 PolarHBondContact O-N 2.87Å; S115-V117 PolarHBondContact O-N 2.99Å
118	A	55.4	Low	55	Low	77 Å²	77	73.5 Å²	73.5	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-71	-31.2	179.5	0	0	0	0	0	112.3	E114 S115 K120	E114-A118 WeakPolarHBondContact O-CB 3.31Å; E114-A118 PolarHBondContact O-N 3.29Å; S115-A118 PolarHBondContact O-N 3.46Å; A118-K120 PolarHBondContact O-N 2.74Å
119	V	46	Very low	53.9	Low	71 Å²	71	73.3 Å²	73.3	43%	0.43	39%	0.391	S	S	.	.	S	Bend	trans	-65	104.9	162.3	-160.1	0	0	0	0	106.3	S115 D121 I124	S115-V119 WeakPolarHBondContact O-CG2 3.29Å; S115-V119 PolarHBondContact O-N 3.41Å; V119-D121 HydrophobicContact CB-CB 4.24Å; V119-D121 HydrophobicContact CG1-CB 3.43Å; V119-D121 VanDerWaalsContact CG1-CB 3.43Å; V119-D121 PolarHBondContact O-N 3.36Å; V119-I124 HydrophobicContact CB-CD1 4.4Å; V119-I124 HydrophobicContact CG1-CD1 4.27Å
120	K	51.7	Low	53.9	Low	183 Å²	183	75.4 Å²	75.4	80%	0.796	41%	0.407	S	S	*	.			trans	-65	26.1	170.9	-64.8	-176.9	177.7	-179	0	112.7	A118 V122	A118-K120 PolarHBondContact O-N 2.74Å; K120-V122 PolarHBondContact O-N 2.83Å; K120-V122 VanDerWaalsContact O-N 3.1Å
121	D	46.3	Very low	53.2	Low	73 Å²	73	75.8 Å²	75.8	39%	0.39	42%	0.416	S	S	.	.			trans	-81.5	93.9	-179.9	-162.1	-8.1	0	0	0	106.9	V119 D123 I124 L125	V119-D121 HydrophobicContact CB-CB 4.24Å; V119-D121 HydrophobicContact CG1-CB 3.43Å; V119-D121 VanDerWaalsContact CG1-CB 3.43Å; V119-D121 PolarHBondContact O-N 3.36Å; D121-D123 PolarHBondContact O-N 2.9Å; D121-D123 VanDerWaalsContact O-N 3.11Å; D121-I124 HydrophobicContact CB-CB 4.32Å; D121-I124 HydrophobicContact CB-CD1 3.85Å; D121-I124 HydrophobicContact CB-CG1 3.89Å; D121-I124 WeakPolarHBondContact O-CB 3.16Å; D121-I124 PolarHBondContact O-N 3.08Å; D121-L125 PolarHBondContact O-N 2.84Å
122	V	46.3	Very low	52.1	Low	70 Å²	70	70.9 Å²	70.9	42%	0.424	39%	0.394	S	S	.	.	H	α-helix	trans	-56	-26.3	-177.6	175.7	0	0	0	0	111.1	F8 K120 G126	F8-V122 HydrophobicContact CD1-CB 4.5Å; F8-V122 HydrophobicContact CD1-CG2 3.6Å; F8-V122 HydrophobicContact CE1-CB 3.93Å; F8-V122 HydrophobicContact CE1-CG1 4.31Å; F8-V122 HydrophobicContact CE1-CG2 3.25Å; F8-V122 HydrophobicContact CZ-CG2 3.98Å; K120-V122 PolarHBondContact O-N 2.83Å; K120-V122 VanDerWaalsContact O-N 3.1Å; V122-G126 PolarHBondContact O-N 3.22Å
123	D	53.9	Low	51.5	Low	116 Å²	116	67.8 Å²	67.8	62%	0.62	39%	0.394	S	S	*	.	H	α-helix	trans	-69.1	-37	172.9	-81.4	-1.9	0	0	0	112.5	D121 G126 N127	D121-D123 PolarHBondContact O-N 2.9Å; D121-D123 VanDerWaalsContact O-N 3.11Å; D123-G126 PolarHBondContact O-N 3.33Å; D123-N127 WeakPolarHBondContact O-CB 3.48Å; D123-N127 PolarHBondContact O-N 2.82Å; D123-N127 PolarHBondContact O-ND2 2.8Å
124	I	46.6	Very low	51.3	Low	51 Å²	51	74.1 Å²	74.1	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-67.1	-45.7	176.1	-61.6	179.6	0	0	0	109.6	M116 V119 D121 N127 L128	M116-I124 HydrophobicContact CB-CG2 4.5Å; M116-I124 HydrophobicContact CE-CG2 3.87Å; V119-I124 HydrophobicContact CB-CD1 4.4Å; V119-I124 HydrophobicContact CG1-CD1 4.27Å; D121-I124 HydrophobicContact CB-CB 4.32Å; D121-I124 HydrophobicContact CB-CD1 3.85Å; D121-I124 HydrophobicContact CB-CG1 3.89Å; D121-I124 WeakPolarHBondContact O-CB 3.16Å; D121-I124 PolarHBondContact O-N 3.08Å; I124-N127 PolarHBondContact O-N 3.45Å; I124-L128 WeakPolarHBondContact O-CB 3.31Å; I124-L128 PolarHBondContact O-N 3.5Å
125	L	44.1	Very low	50.6	Low	40 Å²	40	76.3 Å²	76.3	21%	0.209	43%	0.43	C	S	.	.	H	α-helix	trans	-62.6	-44.6	175.8	-87	160.4	0	0	0	111.4	L37 D121 L128 L129	L37-L125 HydrophobicContact CD1-CD2 3.65Å; L37-L125 HydrophobicContact CD2-CD2 4.31Å; D121-L125 PolarHBondContact O-N 2.84Å; L125-L128 PolarHBondContact O-N 2.8Å; L125-L129 WeakPolarHBondContact O-CB 3.22Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 3.1Å
126	G	49.5	Very low	49.9	Very low	36 Å²	36	79.8 Å²	79.8	37%	0.371	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-44.2	176.3	0	0	0	0	0	112.8	V122 D123 L128 L129 S130	V122-G126 PolarHBondContact O-N 3.22Å; D123-G126 PolarHBondContact O-N 3.33Å; G126-L128 VanDerWaalsContact C-N 3.35Å; G126-L129 PolarHBondContact O-N 3.11Å; G126-S130 VanDerWaalsContact O-CB 3.3Å; G126-S130 WeakPolarHBondContact O-CB 3.32Å; G126-S130 PolarHBondContact O-N 2.87Å
127	N	57	Low	49.8	Very low	104 Å²	104	82.2 Å²	82.2	56%	0.556	45%	0.445	S	S	*	.	H	α-helix	trans	-67.6	-35.7	176.3	-74.9	-36.7	0	0	0	112.3	D123 I124 S131	D123-N127 WeakPolarHBondContact O-CB 3.48Å; D123-N127 PolarHBondContact O-N 2.82Å; D123-N127 PolarHBondContact O-ND2 2.8Å; I124-N127 PolarHBondContact O-N 3.45Å; N127-S131 VanDerWaalsContact O-CB 3.29Å; N127-S131 WeakPolarHBondContact O-CB 3.49Å; N127-S131 PolarHBondContact O-N 2.92Å; N127-S131 PolarHBondContact O-OG 3.04Å
128	L	47.8	Very low	49.6	Very low	24 Å²	24	83.9 Å²	83.9	13%	0.126	46%	0.455	C	S	.	.	H	α-helix	trans	-63.8	-54.4	173.1	-169.8	76	0	0	0	109.2	Y40 L113 M116 I124 L125 G126 S130 S131 I132	Y40-L128 HydrophobicContact CE1-CD2 4.14Å; Y40-L128 HydrophobicContact CE1-CG 4.48Å; L113-L128 HydrophobicContact CD1-CD2 4.29Å; M116-L128 HydrophobicContact CE-CD1 4.3Å; I124-L128 WeakPolarHBondContact O-CB 3.31Å; I124-L128 PolarHBondContact O-N 3.5Å; L125-L128 PolarHBondContact O-N 2.8Å; G126-L128 VanDerWaalsContact C-N 3.35Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.91Å; L128-S131 WeakPolarHBondContact O-CB 3.41Å; L128-S131 PolarHBondContact O-N 2.75Å; L128-S131 VanDerWaalsContact O-N 3.08Å; L128-I132 HydrophobicContact CD2-CD1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.88Å; L128-I132 VanDerWaalsContact O-CD1 3.24Å; L128-I132 WeakPolarHBondContact O-CD1 3.13Å; L128-I132 WeakPolarHBondContact O-CG1 3.47Å; L128-I132 PolarHBondContact O-N 3.43Å
129	L	47.9	Very low	48.8	Very low	100 Å²	100	87.2 Å²	87.2	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-54.9	-43.3	176.3	-72	170.2	0	0	0	112.4	L125 G126 I132 S133	L125-L129 WeakPolarHBondContact O-CB 3.22Å; L125-L129 WeakPolarHBondContact O-CG 3.34Å; L125-L129 PolarHBondContact O-N 3.1Å; G126-L129 PolarHBondContact O-N 3.11Å; L129-I132 HydrophobicContact CD2-CD1 4.39Å; L129-I132 WeakPolarHBondContact O-CB 3.3Å; L129-I132 PolarHBondContact O-N 2.9Å; L129-S133 WeakPolarHBondContact O-CB 3.41Å; L129-S133 PolarHBondContact O-N 2.83Å
130	S	57.3	Low	48.7	Very low	57 Å²	57	88 Å²	88	40%	0.399	45%	0.453	S	S	.	.	H	α-helix	trans	-63	-45.7	174.4	179.2	0	0	0	0	112.4	G126 L128 I132 S133 K134	G126-S130 VanDerWaalsContact O-CB 3.3Å; G126-S130 WeakPolarHBondContact O-CB 3.32Å; G126-S130 PolarHBondContact O-N 2.87Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.91Å; S130-I132 PolarHBondContact O-N 3.37Å; S130-S133 PolarHBondContact O-N 3.21Å; S130-K134 PolarHBondContact O-N 2.95Å; S130-K134 VanDerWaalsContact O-N 3.08Å
131	S	49.4	Very low	48.5	Very low	67 Å²	67	85 Å²	85	47%	0.469	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-31.2	177.1	-65.2	0	0	0	0	112.6	N127 L128 K135	N127-S131 VanDerWaalsContact O-CB 3.29Å; N127-S131 WeakPolarHBondContact O-CB 3.49Å; N127-S131 PolarHBondContact O-N 2.92Å; N127-S131 PolarHBondContact O-OG 3.04Å; L128-S131 WeakPolarHBondContact O-CB 3.41Å; L128-S131 PolarHBondContact O-N 2.75Å; L128-S131 VanDerWaalsContact O-N 3.08Å; S131-K135 WeakPolarHBondContact O-CG 3.35Å; S131-K135 PolarHBondContact O-N 3.49Å
132	I	45.9	Very low	48	Very low	20 Å²	20	86.2 Å²	86.2	10%	0.103	45%	0.446	C	S	.	.	H	α-helix	trans	-69.9	-52.1	175.4	-67	159.1	0	0	0	110.4	Y40 L128 L129 S130 K134 K135 W136	Y40-I132 HydrophobicContact CD1-CD1 3.69Å; Y40-I132 HydrophobicContact CD2-CD1 3.72Å; Y40-I132 HydrophobicContact CD2-CG1 4.19Å; Y40-I132 HydrophobicContact CD2-CG2 3.86Å; Y40-I132 HydrophobicContact CE1-CD1 3.2Å; Y40-I132 HydrophobicContact CE1-CG1 3.98Å; Y40-I132 HydrophobicContact CE2-CB 4.03Å; Y40-I132 HydrophobicContact CE2-CD1 3.22Å; Y40-I132 HydrophobicContact CE2-CG1 3.31Å; Y40-I132 HydrophobicContact CE2-CG2 3.46Å; Y40-I132 VanDerWaalsContact CE2-CG2 3.46Å; Y40-I132 HydrophobicContact CG-CD1 3.95Å; Y40-I132 VanDerWaalsContact OH-CD1 3.27Å; Y40-I132 WeakPolarHBondContact OH-CD1 3.41Å; Y40-I132 WeakPolarHBondContact OH-CG1 3.29Å; L128-I132 HydrophobicContact CD2-CD1 4.41Å; L128-I132 HydrophobicContact CG-CD1 3.88Å; L128-I132 VanDerWaalsContact O-CD1 3.24Å; L128-I132 WeakPolarHBondContact O-CD1 3.13Å; L128-I132 WeakPolarHBondContact O-CG1 3.47Å; L128-I132 PolarHBondContact O-N 3.43Å; L129-I132 HydrophobicContact CD2-CD1 4.39Å; L129-I132 WeakPolarHBondContact O-CB 3.3Å; L129-I132 PolarHBondContact O-N 2.9Å; S130-I132 PolarHBondContact O-N 3.37Å; I132-K134 PolarHBondContact O-N 3.38Å; I132-K135 PolarHBondContact O-N 3.47Å; I132-W136 PolarHBondContact O-N 2.79Å
133	S	49.8	Very low	47.6	Very low	78 Å²	78	86.3 Å²	86.3	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-53	-44.9	178.8	-169	0	0	0	0	110.5	L129 S130 K135 W136 E137	L129-S133 WeakPolarHBondContact O-CB 3.41Å; L129-S133 PolarHBondContact O-N 2.83Å; S130-S133 PolarHBondContact O-N 3.21Å; S133-K135 PolarHBondContact O-N 3.05Å; S133-W136 PolarHBondContact O-N 2.87Å; S133-E137 WeakPolarHBondContact O-CB 3.5Å; S133-E137 PolarHBondContact O-N 2.81Å
134	K	54.6	Low	47.1	Very low	137 Å²	137	86.5 Å²	86.5	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-40.5	175.9	-75.8	-179.8	178.3	177.2	0	113.4	S130 I132 V138	S130-K134 PolarHBondContact O-N 2.95Å; S130-K134 VanDerWaalsContact O-N 3.08Å; I132-K134 PolarHBondContact O-N 3.38Å; K134-V138 VanDerWaalsContact O-CG2 3.31Å; K134-V138 WeakPolarHBondContact O-CG2 3.43Å; K134-V138 PolarHBondContact O-N 3.23Å; K134-V138 VanDerWaalsContact O-N 3.15Å
135	K	49.3	Very low	46.8	Very low	138 Å²	138	87.9 Å²	87.9	60%	0.6	47%	0.466	S	S	*	.	H	α-helix	trans	-71.4	-36	179.7	-78.2	-178.7	178.8	-178.3	0	112.6	S131 I132 S133 V138 R139	S131-K135 WeakPolarHBondContact O-CG 3.35Å; S131-K135 PolarHBondContact O-N 3.49Å; I132-K135 PolarHBondContact O-N 3.47Å; S133-K135 PolarHBondContact O-N 3.05Å; K135-V138 PolarHBondContact O-N 2.88Å; K135-R139 PolarHBondContact O-N 2.94Å
136	W	45.2	Very low	46.8	Very low	132 Å²	132	93.9 Å²	93.9	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-67.6	-43.5	173.7	-87.3	79.4	0	0	0	111.4	I132 S133 V138 R139 D140	I132-W136 PolarHBondContact O-N 2.79Å; S133-W136 PolarHBondContact O-N 2.87Å; W136-V138 PolarHBondContact O-N 3.3Å; W136-R139 CarbonylContact O-C 3.57Å; W136-R139 WeakPolarHBondContact O-CA 3.48Å; W136-R139 WeakPolarHBondContact O-CB 3.45Å; W136-R139 PolarHBondContact O-N 3.4Å; W136-D140 PolarHBondContact O-N 3.16Å
137	E	50.8	Low	46.7	Very low	103 Å²	103	99.2 Å²	99.2	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-35	175.5	-158.5	-165.5	152	0	0	112.2	S133 K141	S133-E137 WeakPolarHBondContact O-CB 3.5Å; S133-E137 PolarHBondContact O-N 2.81Å; E137-K141 WeakPolarHBondContact O-CB 3.26Å; E137-K141 WeakPolarHBondContact O-CD 3.34Å; E137-K141 VanDerWaalsContact O-CG 3.22Å; E137-K141 WeakPolarHBondContact O-CG 3.21Å; E137-K141 PolarHBondContact O-N 3.03Å; E137-K141 IonicContact OE1-NZ 3.81Å; E137-K141 PolarHBondContact OE1-NZ 3.12Å
138	V	46.4	Very low	46.2	Very low	85 Å²	85	99 Å²	99	52%	0.515	52%	0.523	S	S	.	.	H	α-helix	trans	-70.6	-36.7	172.4	172.1	0	0	0	0	111.8	K134 K135 W136 L142	K134-V138 VanDerWaalsContact O-CG2 3.31Å; K134-V138 WeakPolarHBondContact O-CG2 3.43Å; K134-V138 PolarHBondContact O-N 3.23Å; K134-V138 VanDerWaalsContact O-N 3.15Å; K135-V138 PolarHBondContact O-N 2.88Å; W136-V138 PolarHBondContact O-N 3.3Å; V138-L142 HydrophobicContact CG1-CD1 4.11Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.36Å; V138-L142 VanDerWaalsContact O-N 3.07Å
139	R	38.9	Very low	46.1	Very low	147 Å²	147	102.9 Å²	102.9	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-70	-44.4	179	-166.6	-174.1	-174.9	-175.6	2.1	111.7	K135 W136 K141 L142 V143	K135-R139 PolarHBondContact O-N 2.94Å; W136-R139 CarbonylContact O-C 3.57Å; W136-R139 WeakPolarHBondContact O-CA 3.48Å; W136-R139 WeakPolarHBondContact O-CB 3.45Å; W136-R139 PolarHBondContact O-N 3.4Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.34Å; R139-L142 WeakPolarHBondContact O-CA 3.38Å; R139-L142 WeakPolarHBondContact O-CB 3.06Å; R139-L142 PolarHBondContact O-N 2.96Å; R139-V143 WeakPolarHBondContact O-CG2 3.25Å; R139-V143 PolarHBondContact O-N 2.92Å
140	D	43.9	Very low	46	Very low	87 Å²	87	103.1 Å²	103.1	47%	0.465	55%	0.545	S	S	.	.	H	α-helix	trans	-60.2	-43.6	176.1	-75.5	-5.1	0	0	0	110.3	W136 L142 V143 D144	W136-D140 PolarHBondContact O-N 3.16Å; D140-L142 VanDerWaalsContact C-N 3.25Å; D140-L142 PolarHBondContact O-N 3.38Å; D140-V143 PolarHBondContact O-N 3.45Å; D140-D144 WeakPolarHBondContact O-CB 3.5Å; D140-D144 PolarHBondContact O-N 3.09Å
141	K	47.9	Very low	45.3	Very low	121 Å²	121	105.8 Å²	105.8	53%	0.526	55%	0.554	S	S	.	*	H	α-helix	trans	-60.7	-31.1	172.9	-73.2	172.2	-171.2	168.1	0	113.7	E137 R139 A145	E137-K141 WeakPolarHBondContact O-CB 3.26Å; E137-K141 WeakPolarHBondContact O-CD 3.34Å; E137-K141 VanDerWaalsContact O-CG 3.22Å; E137-K141 WeakPolarHBondContact O-CG 3.21Å; E137-K141 PolarHBondContact O-N 3.03Å; E137-K141 IonicContact OE1-NZ 3.81Å; E137-K141 PolarHBondContact OE1-NZ 3.12Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.34Å; K141-A145 WeakPolarHBondContact O-CB 3.42Å; K141-A145 PolarHBondContact O-N 3.07Å
142	L	35	Very low	45.1	Very low	98 Å²	98	108.3 Å²	108.3	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-76.3	-39.3	175.7	-79.3	164	0	0	0	111.7	V138 R139 D140 D144 A145 E146	V138-L142 HydrophobicContact CG1-CD1 4.11Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.36Å; V138-L142 VanDerWaalsContact O-N 3.07Å; R139-L142 WeakPolarHBondContact O-CA 3.38Å; R139-L142 WeakPolarHBondContact O-CB 3.06Å; R139-L142 PolarHBondContact O-N 2.96Å; D140-L142 VanDerWaalsContact C-N 3.25Å; D140-L142 PolarHBondContact O-N 3.38Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-A145 PolarHBondContact O-N 2.96Å; L142-E146 WeakPolarHBondContact O-CG 3.27Å; L142-E146 PolarHBondContact O-N 3.36Å
143	V	39	Very low	45	Very low	72 Å²	72	114.1 Å²	114.1	44%	0.436	59%	0.59	S	S	.	*	H	α-helix	trans	-64.7	-40.6	175.1	173.9	0	0	0	0	110.6	R139 D140 A145 E146 S147	R139-V143 WeakPolarHBondContact O-CG2 3.25Å; R139-V143 PolarHBondContact O-N 2.92Å; D140-V143 PolarHBondContact O-N 3.45Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 3.01Å; V143-E146 PolarHBondContact O-N 3.43Å; V143-S147 PolarHBondContact O-N 2.93Å; V143-S147 VanDerWaalsContact O-N 3.13Å; V143-S147 PolarHBondContact O-OG 3.08Å
144	D	42.9	Very low	44.7	Very low	119 Å²	119	116.7 Å²	116.7	64%	0.636	59%	0.593	S	S	*	*	H	α-helix	trans	-66.1	-30.3	174.6	-72.8	-15.6	0	0	0	112.6	D140 L142	D140-D144 WeakPolarHBondContact O-CB 3.5Å; D140-D144 PolarHBondContact O-N 3.09Å; L142-D144 VanDerWaalsContact C-N 3.33Å
145	A	40.6	Very low	43.9	Very low	80 Å²	80	115.2 Å²	115.2	66%	0.661	59%	0.593	S	S	*	*	H	α-helix	trans	-81.1	-19.6	176.8	0	0	0	0	0	113.5	K141 L142 V143	K141-A145 WeakPolarHBondContact O-CB 3.42Å; K141-A145 PolarHBondContact O-N 3.07Å; L142-A145 PolarHBondContact O-N 2.96Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 3.01Å
146	E	43.1	Very low	43.5	Very low	166 Å²	166	113.3 Å²	113.3	78%	0.776	59%	0.592	S	S	*	*	H	α-helix	trans	-95.2	-10.5	178.2	-72.9	-178.7	168.9	0	0	113.2	L142 V143	L142-E146 WeakPolarHBondContact O-CG 3.27Å; L142-E146 PolarHBondContact O-N 3.36Å; V143-E146 PolarHBondContact O-N 3.43Å
147	S	47.8	Very low	43.3	Very low	149 Å²	149	111.5 Å²	111.5	100%	1.042	60%	0.601	S	S	*	*			trans	-92.9	0	175.7	-57.2	0	0	0	0	112.3	V143	V143-S147 PolarHBondContact O-N 2.93Å; V143-S147 VanDerWaalsContact O-N 3.13Å; V143-S147 PolarHBondContact O-OG 3.08Å

Retrieved 147 of 147 residues in 100.6 ms (Link to these results)

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